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4b0443583d
| Author | SHA1 | Date |
|---|---|---|
Jean-Sébastien
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4b0443583d | |
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Jean-Sébastien
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9c759b3f04 | |
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Jean-Sébastien
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bdf309d78c | |
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Jean-Sébastien
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83cad3587e | |
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Jean-Sébastien
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d9a1d4be1c |
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@ -38,7 +38,7 @@ PROJECT_NAME = ABACUS
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# could be handy for archiving the generated documentation or if some version
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# control system is used.
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PROJECT_NUMBER =
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PROJECT_NUMBER = 1.0.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer a
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@ -790,7 +790,7 @@ WARN_LOGFILE =
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# spaces. See also FILE_PATTERNS and EXTENSION_MAPPING
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# Note: If this tag is empty the current directory is searched.
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INPUT = /Users/jscaux/WORK/_ABACUS/ABACUS
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INPUT =
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# This tag can be used to specify the character encoding of the source files
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# that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses
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@ -889,7 +889,7 @@ EXCLUDE_SYMLINKS = NO
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# Note that the wildcards are matched against the file with absolute path, so to
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# exclude all test directories for example use the pattern */test/*
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EXCLUDE_PATTERNS =
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EXCLUDE_PATTERNS = */test/*
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# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names
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# (namespaces, classes, functions, etc.) that should be excluded from the
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@ -17,7 +17,7 @@ Purpose: Core header file, includes all descendents.
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// This core header file includes all the others
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const char ABACUS_VERSION[20] = "ABACUS_0a";
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const char ABACUS_VERSION[20] = "1.0.0";
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// Standard includes
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#include <cmath>
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@ -21,7 +21,7 @@ namespace ABACUS {
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// First, some global constants...
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const long long int ID_UPPER_LIMIT = 10000000LL; // max size of vectors we can define without seg fault
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const long long int ID_UPPER_LIMIT = 10000000LL; // max size we can define without seg fault
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const int INTERVALS_SIZE = 100000; // size of Scan_Intervals arrays
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const int NBASESMAX = 1000; // max number of bases kept
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@ -30,7 +30,7 @@ namespace ABACUS {
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// Cutoffs on particle numbers
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const int MAXSTRINGS = 20; // maximal number of particle types we allow in bases
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const int NEXC_MAX_HEIS = 16; // maximal number of excitations (string binding/unbinding, particle-hole) considered
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const int NEXC_MAX_HEIS = 16; // max nr of excitations (string binding/unbinding, particle-hole) considered
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//***********************************************************************
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@ -66,7 +66,8 @@ namespace ABACUS {
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//****************************************************************************
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// Objects in class Heis_Base are a checked vector containing the number of rapidities of allowable types for a given state
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// Objects in class Heis_Base are a checked vector containing the number of rapidities
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// of allowable types for a given state
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class Heis_Base {
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@ -116,7 +116,8 @@ namespace ABACUS {
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if (i % 2 && bdry[i] < xmax_ref) xmax_reg++;
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}
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Vect<T> new_bdry(bdry.size() + 2 * (((xmin_reg + 1) % 2 && (xmax_reg + 1) % 2) - (xmax_reg - xmin_reg)/2));
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Vect<T> new_bdry(bdry.size()
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+ 2 * (((xmin_reg + 1) % 2 && (xmax_reg + 1) % 2) - (xmax_reg - xmin_reg)/2));
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int ishift = 0;
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for (int i = 0; i <= xmin_reg; ++i) new_bdry[i] = bdry[i];
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@ -201,18 +202,40 @@ namespace ABACUS {
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// ******************************** Recursive integration functions ******************************
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DP Integrate_Riemann (DP (*function) (Vect_DP), Vect_DP& args, int arg_to_integ, DP xmin, DP xmax, int Npts);
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DP Integrate_Riemann_using_table (DP (*function) (Vect_DP, I_table), Vect_DP& args, int arg_to_integ, I_table Itable,
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DP Integrate_Riemann (DP (*function) (Vect_DP),
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Vect_DP& args, int arg_to_integ,
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DP xmin, DP xmax,
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int Npts);
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DP Integrate_Riemann_using_table (DP (*function) (Vect_DP, I_table),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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DP xmin, DP xmax, int Npts);
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DP Integrate_rec (DP (*function) (Vect_DP), Vect_DP& args, int arg_to_integ, DP xmin, DP xmax, DP req_prec, int max_rec_level);
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DP Integrate_rec_using_table (DP (*function) (Vect_DP, I_table), Vect_DP& args, int arg_to_integ, I_table Itable,
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DP xmin, DP xmax, DP req_prec, int max_rec_level);
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DP Integrate_rec_using_table (DP (*function) (Vect_DP, I_table), Vect_DP& args, int arg_to_integ, I_table Itable,
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DP xmin, DP xmax, DP req_prec, int max_rec_level, std::ofstream& outfile);
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DP Integrate_rec_using_table_and_file (DP (*function) (Vect_DP, I_table, std::ofstream&), Vect_DP& args,
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int arg_to_integ, I_table Itable,
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DP xmin, DP xmax, DP req_prec, int max_rec_level, std::ofstream& outfile);
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DP Integrate_rec (DP (*function) (Vect_DP),
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Vect_DP& args, int arg_to_integ,
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DP xmin, DP xmax,
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DP req_prec, int max_rec_level);
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DP Integrate_rec_using_table (DP (*function) (Vect_DP, I_table),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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DP xmin, DP xmax,
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DP req_prec, int max_rec_level);
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DP Integrate_rec_using_table (DP (*function) (Vect_DP, I_table),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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DP xmin, DP xmax,
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DP req_prec, int max_rec_level,
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std::ofstream& outfile);
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DP Integrate_rec_using_table_and_file (DP (*function) (Vect_DP, I_table, std::ofstream&),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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DP xmin, DP xmax,
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DP req_prec, int max_rec_level,
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std::ofstream& outfile);
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@ -248,34 +271,70 @@ namespace ABACUS {
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DP xmax;
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public:
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Integral_data (DP (*function_ref) (Vect_DP), Vect_DP& args, int arg_to_integ_ref, DP xmin_ref, DP xmax_ref);
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Integral_data (DP (*function_ref) (Vect_DP, I_table), Vect_DP& args, int arg_to_integ_ref,
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I_table Itable, DP xmin_ref, DP xmax_ref);
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Integral_data (DP (*function_ref) (Vect_DP, Integral_table), Vect_DP& args, int arg_to_integ_ref,
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Integral_table Itable, DP xmin_ref, DP xmax_ref);
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Integral_data (DP (*function_ref) (Vect_DP),
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Vect_DP& args, int arg_to_integ_ref,
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DP xmin_ref, DP xmax_ref);
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Integral_data (DP (*function_ref) (Vect_DP, I_table),
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Vect_DP& args, int arg_to_integ_ref,
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I_table Itable,
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DP xmin_ref, DP xmax_ref);
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Integral_data (DP (*function_ref) (Vect_DP, Integral_table),
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Vect_DP& args, int arg_to_integ_ref,
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Integral_table Itable,
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DP xmin_ref, DP xmax_ref);
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void Save (std::ofstream& outfile);
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void Improve_estimate (DP (*function) (Vect_DP), Vect_DP& args, int arg_to_integ, int Npts_max);
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void Improve_estimate (DP (*function) (Vect_DP, I_table), Vect_DP& args, int arg_to_integ, I_table Itable, int Npts_max);
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void Improve_estimate (DP (*function) (Vect_DP, Integral_table), Vect_DP& args, int arg_to_integ,
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Integral_table Itable, int Npts_max);
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void Improve_estimate (DP (*function) (Vect_DP),
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Vect_DP& args, int arg_to_integ,
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int Npts_max);
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void Improve_estimate (DP (*function) (Vect_DP, I_table),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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int Npts_max);
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void Improve_estimate (DP (*function) (Vect_DP, Integral_table),
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Vect_DP& args, int arg_to_integ,
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Integral_table Itable,
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int Npts_max);
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~Integral_data ();
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};
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Integral_result Integrate_optimal (DP (*function) (Vect_DP), Vect_DP& args,
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int arg_to_integ, DP xmin, DP xmax, DP req_rel_prec, DP req_abs_prec, int max_nr_pts);
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Integral_result Integrate_optimal_using_table (DP (*function) (Vect_DP, I_table Itable), Vect_DP& args, int arg_to_integ,
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I_table Itable, DP xmin, DP xmax, DP req_rel_prec, DP req_abs_prec, int max_nr_pts);
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Integral_result Integrate_optimal_using_table (DP (*function) (Vect_DP, Integral_table Itable), Vect_DP& args, int arg_to_integ,
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Integral_table Itable, DP xmin, DP xmax, DP req_rel_prec,
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DP req_abs_prec, int max_nr_pts);
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Integral_result Integrate_optimal (DP (*function) (Vect_DP),
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Vect_DP& args, int arg_to_integ,
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DP xmin, DP xmax,
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DP req_rel_prec, DP req_abs_prec,
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int max_nr_pts);
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Integral_result Integrate_optimal_using_table (DP (*function) (Vect_DP, I_table Itable), Vect_DP& args, int arg_to_integ,
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I_table Itable, DP xmin, DP xmax, DP req_rel_prec,
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DP req_abs_prec, int max_nr_pts, std::ofstream& outfile);
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Integral_result Integrate_optimal_using_table (DP (*function) (Vect_DP, I_table Itable),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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DP xmin, DP xmax,
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DP req_rel_prec, DP req_abs_prec,
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int max_nr_pts);
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Integral_result Integrate_optimal_using_table (DP (*function) (Vect_DP, Integral_table Itable),
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Vect_DP& args, int arg_to_integ,
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Integral_table Itable,
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DP xmin, DP xmax,
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DP req_rel_prec, DP req_abs_prec,
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int max_nr_pts);
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Integral_result Integrate_optimal_using_table (DP (*function) (Vect_DP, I_table Itable),
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Vect_DP& args, int arg_to_integ,
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I_table Itable,
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DP xmin, DP xmax,
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DP req_rel_prec, DP req_abs_prec,
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int max_nr_pts,
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std::ofstream& outfile);
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// ******************************** Recursive version: optimal, complex implementation ******************************
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// ********************** Recursive version: optimal, complex implementation ********************
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// NB: function returns complex values but takes real arguments
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@ -307,23 +366,25 @@ namespace ABACUS {
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DP xmax;
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public:
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Integral_data_CX (std::complex<DP> (*function_ref) (Vect_DP), Vect_DP& args, int arg_to_integ_ref, DP xmin_ref, DP xmax_ref);
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Integral_data_CX (std::complex<DP> (*function_ref) (Vect_DP),
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Vect_DP& args, int arg_to_integ_ref,
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DP xmin_ref, DP xmax_ref);
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void Save (std::ofstream& outfile);
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void Improve_estimate (std::complex<DP> (*function) (Vect_DP), Vect_DP& args, int arg_to_integ, int Npts_max);
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void Improve_estimate (std::complex<DP> (*function) (Vect_DP),
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Vect_DP& args, int arg_to_integ,
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int Npts_max);
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~Integral_data_CX ();
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};
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Integral_result_CX Integrate_optimal (std::complex<DP> (*function) (Vect_DP), Vect_DP& args, int arg_to_integ, DP xmin, DP xmax,
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DP req_rel_prec, DP req_abs_prec, int max_nr_pts);
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//Integral_result_CX Integrate_optimal_using_table (DP (*function) (Vect_DP, I_table Itable), Vect_DP& args, int arg_to_integ,
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// I_table Itable, DP xmin, DP xmax, DP req_rel_prec, DP req_abs_prec, int max_nr_pts);
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//Integral_result_CX Integrate_optimal_using_table (DP (*function) (Vect_DP, I_table Itable), Vect_DP& args, int arg_to_integ,
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// I_table Itable, DP xmin, DP xmax, DP req_rel_prec, DP req_abs_prec, int max_nr_pts, std::ofstream& outfile);
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Integral_result_CX Integrate_optimal (std::complex<DP> (*function) (Vect_DP),
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Vect_DP& args, int arg_to_integ,
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DP xmin, DP xmax,
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DP req_rel_prec, DP req_abs_prec,
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int max_nr_pts);
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} // namespace ABACUS
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@ -8,7 +8,7 @@ Copyright (c) J.-S. Caux.
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File: ABACUS_Matrix.h
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Purpose: Declares square matrix class.
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Purpose: Declares square and rectangular matrix classes.
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***********************************************************/
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@ -101,35 +101,6 @@ namespace ABACUS {
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Vect<std::string> Descendent_States_with_iK_Stepped_Down_rightIx2only
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(std::string ScanIx2_label, const Heis_Bethe_State& OriginState, bool disperse_only_current_exc, bool preserve_nexc);
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// Functions in src/SCAN/General_Scan.cc:
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void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
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int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
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int Max_Secs, DP target_sumrule, bool refine);
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void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultname, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine);
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void Scan_LiebLin_Geometric_Quench (DP c_int, DP L_1, int type_id_1, long long int id_1, DP L_2, int N,
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int iK_UL, int Max_Secs, DP target_sumrule, bool refine);
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void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine);
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void Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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void Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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void Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine, int rank, int nr_processors);
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void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax, int Max_Secs, bool refine);
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void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKneeded, int Max_Secs, bool refine);
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void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int Max_Secs, bool refine);
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// Functions to prepare and wrapup parallel scans:
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void Prepare_Parallel_Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
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std::string defaultname, int paralevel, Vect<int> rank_lower_paralevels,
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@ -228,10 +199,50 @@ namespace ABACUS {
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std::ostream& operator<< (std::ostream& s, const Scan_Info& info);
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// Functions in src/SCAN/General_Scan.cc:
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template<class Tstate>
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Scan_Info General_Scan (char whichDSF, int iKmin, int iKmax, int iKmod, DP kBT, Tstate& AveragingState, Tstate& SeedScanState,
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std::string defaultScanStatename, int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
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Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
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int Max_Secs, DP target_sumrule, bool refine,
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int paralevel, Vect<int> rank, Vect<int> nr_processors);
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Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
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int Max_Secs, DP target_sumrule, bool refine);
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Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultScanStatename,
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int iKmin, int iKmax,
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int Max_Secs, DP target_sumrule, bool refine,
|
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int paralevel, Vect<int> rank, Vect<int> nr_processors);
|
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Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultname,
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int iKmin, int iKmax,
|
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int Max_Secs, DP target_sumrule, bool refine);
|
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Scan_Info Scan_LiebLin_Geometric_Quench (DP c_int, DP L_1, int type_id_1, long long int id_1, DP L_2, int N,
|
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int iK_UL, int Max_Secs, DP target_sumrule, bool refine);
|
||||
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Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
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int Max_Secs, DP target_sumrule, bool refine,
|
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int paralevel, Vect<int> rank, Vect<int> nr_processors);
|
||||
Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine);
|
||||
Scan_Info Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, std::string defaultScanStatename,
|
||||
int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors);
|
||||
Scan_Info Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, std::string defaultScanStatename,
|
||||
int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors);
|
||||
Scan_Info Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, std::string defaultScanStatename,
|
||||
int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors);
|
||||
|
||||
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine, int rank, int nr_processors);
|
||||
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax, int Max_Secs, bool refine);
|
||||
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKneeded, int Max_Secs, bool refine);
|
||||
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int Max_Secs, bool refine);
|
||||
|
||||
|
||||
//****************************************************************************
|
||||
|
||||
|
|
|
|||
|
|
@ -26,7 +26,8 @@ namespace ABACUS {
|
|||
// Refer to GR[6] 8.23
|
||||
|
||||
if (x <= 0.0) {
|
||||
std::cout << "Cosine_Integral called with real argument " << x << " <= 0, which is ill-defined because of the branch cut." << std::endl;
|
||||
std::cout << "Cosine_Integral called with real argument "
|
||||
<< x << " <= 0, which is ill-defined because of the branch cut." << std::endl;
|
||||
ABACUSerror("");
|
||||
}
|
||||
|
||||
|
|
@ -59,7 +60,8 @@ namespace ABACUS {
|
|||
|
||||
else { // Use high x power series
|
||||
|
||||
// Ci (x) = \frac{\sin x}{x} \sum_{n=0}^\infty (-1)^n (2n)! x^{-2n} - \frac{\cos x}{x} \sum_{n=0}^\infty (-1)^n (2n+1)! x^{-2n-1}
|
||||
// Ci (x) = \frac{\sin x}{x} \sum_{n=0}^\infty (-1)^n (2n)! x^{-2n}
|
||||
// - \frac{\cos x}{x} \sum_{n=0}^\infty (-1)^n (2n+1)! x^{-2n-1}
|
||||
|
||||
int n = 0;
|
||||
DP minonetothen = 1.0;
|
||||
|
|
@ -167,7 +169,8 @@ namespace ABACUS {
|
|||
int max_nr_pts = 10000;
|
||||
Integral_result integ_ln_Gamma = Integrate_optimal (ln_Gamma_for_Barnes_G_RE, args, 0, 0.0, z - 1.0, req_rel_prec, req_abs_prec, max_nr_pts);
|
||||
|
||||
return(0.5 * (z - 1.0) * (2.0 - z + logtwoPI) + (z - 1.0) * real(ln_Gamma(std::complex<double>(z - 1.0))) - integ_ln_Gamma.integ_est);
|
||||
return(0.5 * (z - 1.0) * (2.0 - z + logtwoPI)
|
||||
+ (z - 1.0) * real(ln_Gamma(std::complex<double>(z - 1.0))) - integ_ln_Gamma.integ_est);
|
||||
}
|
||||
|
||||
} // namespace ABACUS
|
||||
|
|
|
|||
|
|
@ -39,7 +39,9 @@ namespace ABACUS {
|
|||
|
||||
// Inexplicably missing string functions in standard library:
|
||||
|
||||
inline std::string replace(const std::string& str, const std::string& from, const std::string& to) {
|
||||
inline std::string replace(const std::string& str,
|
||||
const std::string& from,
|
||||
const std::string& to) {
|
||||
std::string repl = str;
|
||||
size_t start_pos = repl.find(from);
|
||||
if(start_pos < std::string::npos)
|
||||
|
|
@ -47,7 +49,9 @@ namespace ABACUS {
|
|||
return repl;
|
||||
}
|
||||
|
||||
inline std::string replace_all(const std::string& str, const std::string& from, const std::string& to) {
|
||||
inline std::string replace_all(const std::string& str,
|
||||
const std::string& from,
|
||||
const std::string& to) {
|
||||
std::string repl = str;
|
||||
if(from.empty())
|
||||
return repl;
|
||||
|
|
@ -125,7 +129,8 @@ namespace ABACUS {
|
|||
int ans = 0;
|
||||
|
||||
if (N < 0) {
|
||||
std::cerr << "Error: factorial of negative number. Exited." << std::endl;
|
||||
std::cerr << "Error: factorial of negative number. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if ( N == 1 || N == 0) ans = 1;
|
||||
|
|
@ -139,7 +144,8 @@ namespace ABACUS {
|
|||
DP ans = 0.0;
|
||||
|
||||
if (N < 0) {
|
||||
std::cerr << "Error: factorial of negative number. Exited." << std::endl;
|
||||
std::cerr << "Error: factorial of negative number. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if ( N == 1 || N == 0) ans = 0.0;
|
||||
|
|
@ -153,7 +159,8 @@ namespace ABACUS {
|
|||
long long int ans = 0;
|
||||
|
||||
if (N < 0) {
|
||||
std::cerr << "Error: factorial of negative number. Exited." << std::endl;
|
||||
std::cerr << "Error: factorial of negative number. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if ( N == 1 || N == 0) ans = 1;
|
||||
|
|
@ -167,7 +174,8 @@ namespace ABACUS {
|
|||
unsigned long long int ans = 0;
|
||||
|
||||
if (N < 0) {
|
||||
std::cerr << "Error: factorial of negative number. Exited." << std::endl;
|
||||
std::cerr << "Error: factorial of negative number. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if ( N == 1 || N == 0) ans = 1;
|
||||
|
|
@ -182,7 +190,8 @@ namespace ABACUS {
|
|||
|
||||
int ans = 0;
|
||||
if (N1 < N2) {
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited." << std::endl;
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if (N1 == N2) ans = 1;
|
||||
|
|
@ -203,7 +212,8 @@ namespace ABACUS {
|
|||
|
||||
DP ans = 0.0;
|
||||
if (N1 < N2) {
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited." << std::endl;
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if (N1 == N2) ans = 0.0;
|
||||
|
|
@ -219,13 +229,14 @@ namespace ABACUS {
|
|||
|
||||
long long int ans = 0;
|
||||
if (N1 < N2) {
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited." << std::endl;
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if (N1 == N2) ans = 1;
|
||||
else if (N1 < 12) ans = fact_lli(N1)/(fact_lli(N2) * fact_lli(N1 - N2));
|
||||
else {
|
||||
// Make sure that N2 is less than or equal to N1/2; if not, just switch...
|
||||
// Make sure that N2 is less than or equal to N1/2; if not, just switch
|
||||
int N2_min = min(N2, N1 - N2);
|
||||
|
||||
ans = 1;
|
||||
|
|
@ -244,13 +255,14 @@ namespace ABACUS {
|
|||
|
||||
unsigned long long int ans = 0;
|
||||
if (N1 < N2) {
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited." << std::endl;
|
||||
std::cout << "Error: N1 smaller than N2 in choose. Exited."
|
||||
<< std::endl;
|
||||
exit(1);
|
||||
}
|
||||
else if (N1 == N2) ans = 1;
|
||||
else if (N1 < 12) ans = fact_ulli(N1)/(fact_ulli(N2) * fact_ulli(N1 - N2));
|
||||
else {
|
||||
// Make sure that N2 is less than or equal to N1/2; if not, just switch...
|
||||
// Make sure that N2 is less than or equal to N1/2; if not, just switch
|
||||
int N2_min = min(N2, N1 - N2);
|
||||
|
||||
ans = 1;
|
||||
|
|
@ -302,6 +314,7 @@ namespace ABACUS {
|
|||
return(-0.5 * II * log((1.0 + II* x)/(1.0 - II* x)));
|
||||
}
|
||||
|
||||
|
||||
/**************** Gamma function *******************/
|
||||
|
||||
inline std::complex<double> ln_Gamma (std::complex<double> z)
|
||||
|
|
@ -325,7 +338,8 @@ namespace ABACUS {
|
|||
+ 0.5384136432509564062961e-7 / (z + 8.0)
|
||||
- 0.4023533141268236372067e-8 / (z + 9.0);
|
||||
|
||||
return(0.5 * logtwoPI + (z - 0.5) * log(z + 8.5) - (z + 8.5) + log(series));
|
||||
return(0.5 * logtwoPI + (z - 0.5) * log(z + 8.5)
|
||||
- (z + 8.5) + log(series));
|
||||
}
|
||||
|
||||
return(log(0.0)); // never called
|
||||
|
|
@ -359,7 +373,8 @@ namespace ABACUS {
|
|||
for (int i = 1; i < g+2; ++i)
|
||||
series += p[i]/(z_min_1 + std::complex<double>(i));
|
||||
|
||||
return(0.5 * logtwoPI + (z_min_1 + 0.5) * log(z_min_1 + std::complex<double>(g) + 0.5)
|
||||
return(0.5 * logtwoPI
|
||||
+ (z_min_1 + 0.5) * log(z_min_1 + std::complex<double>(g) + 0.5)
|
||||
- (z_min_1 + std::complex<double>(g) + 0.5) + log(series));
|
||||
}
|
||||
|
||||
|
|
@ -376,16 +391,25 @@ namespace ABACUS {
|
|||
|
||||
int g = 7;
|
||||
|
||||
double p[9] = { 0.99999999999980993, 676.5203681218851, -1259.1392167224028,
|
||||
771.32342877765313, -176.61502916214059, 12.507343278686905,
|
||||
-0.13857109526572012, 9.9843695780195716e-6, 1.5056327351493116e-7};
|
||||
double p[9] = {
|
||||
0.99999999999980993,
|
||||
676.5203681218851,
|
||||
-1259.1392167224028,
|
||||
771.32342877765313,
|
||||
-176.61502916214059,
|
||||
12.507343278686905,
|
||||
-0.13857109526572012,
|
||||
9.9843695780195716e-6,
|
||||
1.5056327351493116e-7
|
||||
};
|
||||
|
||||
std::complex<double> z_min_1 = z - 1.0;
|
||||
std::complex<double> series = p[0];
|
||||
for (int i = 1; i < g+2; ++i)
|
||||
series += p[i]/(z_min_1 + std::complex<double>(i));
|
||||
|
||||
return(0.5 * logtwoPI + (z_min_1 + 0.5) * log(z_min_1 + std::complex<double>(g) + 0.5)
|
||||
return(0.5 * logtwoPI
|
||||
+ (z_min_1 + 0.5) * log(z_min_1 + std::complex<double>(g) + 0.5)
|
||||
- (z_min_1 + std::complex<double>(g) + 0.5) + log(series));
|
||||
}
|
||||
|
||||
|
|
@ -396,7 +420,8 @@ namespace ABACUS {
|
|||
|
||||
inline long long int Partition_Function (int n)
|
||||
{
|
||||
// Returns the value of the partition function p(n), giving the number of partitions of n into integers.
|
||||
// Returns the value of the partition function p(n),
|
||||
// giving the number of partitions of n into integers.
|
||||
|
||||
if (n < 0) ABACUSerror("Calling Partition_Function for n < 0.");
|
||||
else if (n == 0 || n == 1) return(1LL);
|
||||
|
|
|
|||
|
|
@ -45,7 +45,8 @@ namespace ABACUS {
|
|||
public:
|
||||
Young_Tableau (); // empty constructor, does nothing
|
||||
Young_Tableau (int Nr, int Nc); // constructs empty tableau
|
||||
Young_Tableau (int Nr, int Nc, long long int idnr); // constructs the tableau corresponding to identification number idnr
|
||||
// constructs the tableau with identification number idnr:
|
||||
Young_Tableau (int Nr, int Nc, long long int idnr);
|
||||
Young_Tableau (const Young_Tableau& RefTableau); // copy constructor
|
||||
Young_Tableau (int Nr, int Nc, const Young_Tableau& RefTableau);
|
||||
Young_Tableau& operator= (const Young_Tableau& RefTableau); // assignment
|
||||
|
|
@ -55,11 +56,13 @@ namespace ABACUS {
|
|||
Young_Tableau& Compute_Map (long long int idnr_to_reach); // fills the map vector
|
||||
Young_Tableau& Distribute_boxes (int nboxes_to_dist, int level);
|
||||
Young_Tableau& Set_to_id (long long int idnr); // sets the tableau to the one corresponding to idnr
|
||||
Young_Tableau& Set_to_id (long long int idnr, int option); // sets the tableau to the one corresponding to idnr according to rule option
|
||||
// sets the tableau to the one corresponding to idnr according to rule option:
|
||||
Young_Tableau& Set_to_id (long long int idnr, int option);
|
||||
Young_Tableau& Set_Row_L (Vect<int>& Row_Lengths); // set row lengths
|
||||
Young_Tableau& Set_Col_L_given_Row_L (); // sets the Col_L array self-consistently
|
||||
Young_Tableau& Set_Row_L_given_Col_L (); // sets the Col_L array self-consistently
|
||||
long long int Compute_Descendent_id (int option, Vect<int>& Desc_Row_L, int Nrows_Desc, int Ncols_Desc,
|
||||
long long int Compute_Descendent_id (int option, Vect<int>& Desc_Row_L,
|
||||
int Nrows_Desc, int Ncols_Desc,
|
||||
const Young_Tableau& RefTableau);
|
||||
Young_Tableau& Compute_id(); // computes the id number of tableau
|
||||
Young_Tableau& Compute_id(int option); // computes the id number of tableau according to rule option
|
||||
|
|
@ -69,7 +72,8 @@ namespace ABACUS {
|
|||
bool Raise_Row (int i);
|
||||
bool Lower_Col (int i);
|
||||
bool Raise_Col (int i);
|
||||
bool Raise_Lowest_Nonzero_Row(); // adds a box to the lowest nonzero length Row, recomputes id, returns true if tableau has changed
|
||||
// adds a box to the lowest nonzero length Row, recomputes id, returns true if tableau has changed:
|
||||
bool Raise_Lowest_Nonzero_Row();
|
||||
bool Raise_Next_to_Lowest_Nonzero_Row(); // same thing, but for Row under lowest nonzero length one.
|
||||
bool Move_Box_from_Col_to_Col (int ifrom, int ito);
|
||||
|
||||
|
|
@ -83,10 +87,12 @@ namespace ABACUS {
|
|||
|
||||
inline int Nr_Nonzero_Rows (const Vect<Young_Tableau>& Tableau_ref)
|
||||
{
|
||||
// This function checks the number of rows containing at least one box
|
||||
// in the whole vector of Young tableaux given as argument.
|
||||
// The usefulness is to force descent of states in which only a few
|
||||
// excitations have started dispersing.
|
||||
/*
|
||||
This function checks the number of rows containing at least one box
|
||||
in the whole vector of Young tableaux given as argument.
|
||||
The usefulness is to force descent of states in which only a few
|
||||
excitations have started dispersing.
|
||||
*/
|
||||
|
||||
int nr_nonzero_rows = 0;
|
||||
for (int i = 0; i < Tableau_ref.size(); ++i)
|
||||
|
|
|
|||
|
|
@ -1,3 +1,4 @@
|
|||
#! /usr/bin/env python
|
||||
import argparse
|
||||
import plotly.graph_objects as go
|
||||
import numpy
|
||||
|
|
@ -16,5 +17,3 @@ y = [d for d in dsf]
|
|||
fig = go.Figure(data=go.Scatter(x=x, y=y))
|
||||
fig.update_layout(title=args.dsffile.rpartition('/')[2])
|
||||
fig.show()
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -11,28 +11,28 @@
|
|||
|
||||
|
||||
if [[ $# -ne 4 ]]; then
|
||||
echo "Arguments needed: whichDSF, kBT, target_sumrule, nr_minutes (for each c, k combination)."
|
||||
exit 1
|
||||
echo "Arguments needed: whichDSF, kBT, target_sumrule, nr_minutes (for each c, k combination)."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
|
||||
echo "Only the d, g and o scanning options are implemented."
|
||||
exit 1
|
||||
echo "Only the d, g and o scanning options are implemented."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $2 -lt 0 ]]; then
|
||||
echo "Temperature kBT must be > 0."
|
||||
exit 1
|
||||
echo "Temperature kBT must be > 0."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $3 -lt 0 || $3 -gt 1 ]]; then
|
||||
echo "Requirement: 0 < target_sumrule < 1."
|
||||
exit 1
|
||||
echo "Requirement: 0 < target_sumrule < 1."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $4 -lt 1 ]]; then
|
||||
echo "Please give a positive nr_minutes."
|
||||
exit 1
|
||||
echo "Please give a positive nr_minutes."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
zmodload zsh/datetime
|
||||
|
|
@ -42,7 +42,15 @@ kBT=$2
|
|||
target_sumrule=$3
|
||||
nr_minutes=$4
|
||||
|
||||
logfile='run_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log'
|
||||
correlator='rho-rho'
|
||||
if [[ $whichDSF == 'o' ]]; then
|
||||
correlator='psidag-psi'
|
||||
elif [[ $whichDSF == 'g' ]]; then
|
||||
correlator='psi-psidag'
|
||||
fi
|
||||
|
||||
mkdir -p logs
|
||||
logfile='logs/run_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log'
|
||||
touch $logfile
|
||||
|
||||
clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
|
||||
|
|
@ -52,15 +60,14 @@ basedir="$(pwd)"
|
|||
|
||||
for c in $clist
|
||||
do
|
||||
for nk in {1..16}
|
||||
do
|
||||
echo 'Starting run for c =' $c', kfact = '$nk | tee -a $logfile
|
||||
dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule
|
||||
echo $dir
|
||||
mkdir -p $dir
|
||||
cd $dir
|
||||
LiebLin_Catalogue_Fixed_c_k_Nscaling $whichDSF $c $nk $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile
|
||||
cd $basedir
|
||||
echo ' Successfully completed run for c =' $c', kfact = '$nk'\n' | tee -a $logfile
|
||||
done
|
||||
for nk in {1..16}
|
||||
do
|
||||
echo '** Starting run for c =' $c', kfact = '$nk | tee -a $logfile
|
||||
dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/prelim'
|
||||
mkdir -p $dir
|
||||
cd $dir
|
||||
LiebLin_Catalogue_Fixed_c_k_Nscaling $whichDSF $c $nk $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile
|
||||
cd $basedir
|
||||
echo '** Successfully completed run for c =' $c', kfact = '$nk'.\n' | tee -a $logfile
|
||||
done
|
||||
done
|
||||
|
|
|
|||
|
|
@ -0,0 +1,77 @@
|
|||
#! /bin/zsh
|
||||
|
||||
# We use zsh here to support floats (not supported in bash)
|
||||
|
||||
# This script produces the .dsf files for the runs from `build_LiebLin_catalogue_k_fixed`
|
||||
# runs which achieved the required sumrule saturation.
|
||||
|
||||
if [[ $# -ne 4 ]]; then
|
||||
echo "Arguments needed: whichDSF, kBT, target_sumrule, width."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
|
||||
echo "Only the d, g and o scanning options are implemented."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $2 -lt 0 ]]; then
|
||||
echo "Temperature kBT must be > 0."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $3 -lt 0 || $3 -gt 1 ]]; then
|
||||
echo "Requirement: 0 < target_sumrule < 1."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $4 -lt 0 ]]; then
|
||||
echo "width must be > 0."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
whichDSF=$1
|
||||
kBT=$2
|
||||
target_sumrule=$3
|
||||
width=$4
|
||||
|
||||
correlator='rho-rho'
|
||||
if [[ $whichDSF == 'o' ]]; then
|
||||
correlator='psidag-psi'
|
||||
elif [[ $whichDSF == 'g' ]]; then
|
||||
correlator='psi-psidag'
|
||||
fi
|
||||
|
||||
clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
|
||||
|
||||
basedir="$(pwd)"
|
||||
|
||||
|
||||
for c in $clist
|
||||
do
|
||||
for nk in {1..16}
|
||||
do
|
||||
# ommin is set to zero for all
|
||||
ommin=0
|
||||
# ommax is set to about 2x the Tonks-Girardeau dispersion at this momentum:
|
||||
# w_TG = k^2 + 2\pi n |k| with k=2pi*iK/L and iK=nk*N/8, so (with N=L) k=pi/4 nk and
|
||||
# w_TG = pi^2/16 nk^2 + pi^2/2 nk = pi^2 nk (nk/16 + 1/2)
|
||||
# We take pi^2 -> 8 for convenience, so 2*w_TG is about
|
||||
ommax=$(($nk*($nk + 8)))
|
||||
# Number of points:
|
||||
Nom=1000
|
||||
echo 'Starting computation of DSFs for c =' $c', kfact = '$nk
|
||||
dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/store/data'
|
||||
cd $dir
|
||||
for datadir in *
|
||||
do
|
||||
cd $datadir
|
||||
N=${datadir#"N_"}
|
||||
iK=$(($nk * $N/8))
|
||||
Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N $iK $iK $kBT 0 $ommin $ommax $Nom $width
|
||||
cd ..
|
||||
done
|
||||
cd $basedir
|
||||
echo ' Successfully computed DSFs for c =' $c', kfact = '$nk'\n'
|
||||
done
|
||||
done
|
||||
|
|
@ -0,0 +1,79 @@
|
|||
#! /bin/zsh
|
||||
|
||||
# We use zsh here to support floats (not supported in bash)
|
||||
|
||||
# This script produces the plots for the runs from `build_LiebLin_catalogue_k_fixed`
|
||||
# runs which achieved the required sumrule saturation.
|
||||
|
||||
if [[ $# -ne 3 ]]; then
|
||||
echo "Arguments needed: whichDSF, kBT, target_sumrule."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
|
||||
echo "Only the d, g and o scanning options are implemented."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $2 -lt 0 ]]; then
|
||||
echo "Temperature kBT must be > 0."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if [[ $3 -lt 0 || $3 -gt 1 ]]; then
|
||||
echo "Requirement: 0 < target_sumrule < 1."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
|
||||
|
||||
whichDSF=$1
|
||||
kBT=$2
|
||||
target_sumrule=$3
|
||||
width=$4
|
||||
|
||||
correlator='rho-rho'
|
||||
if [[ $whichDSF == 'o' ]]; then
|
||||
correlator='psidag-psi'
|
||||
elif [[ $whichDSF == 'g' ]]; then
|
||||
correlator='psi-psidag'
|
||||
fi
|
||||
|
||||
clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
|
||||
|
||||
basedir="$(pwd)"
|
||||
|
||||
|
||||
for c in $clist
|
||||
do
|
||||
for nk in {1..16}
|
||||
do
|
||||
echo '** Starting plotting of DSFs for c =' $c', k = '$nk' kFo4.'
|
||||
dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/store/plots'
|
||||
mkdir -p $dir
|
||||
cd $dir
|
||||
# Move all K_, Omega_ and .dsfs files to the plots directory
|
||||
mv ../data/*/K_* .
|
||||
mv ../data/*/Omega_* .
|
||||
mv ../data/*/*dsfs .
|
||||
dirlist="$(ls)"
|
||||
# Find the Omega file
|
||||
for file in *
|
||||
do
|
||||
if [[ $file = Omega* ]]; then
|
||||
omegafile=$file
|
||||
fi
|
||||
done
|
||||
echo 'Omega file: ' $omegafile
|
||||
# For each .dsfs file, plot
|
||||
for file in *.dsfs
|
||||
do
|
||||
echo 'Found file ' $file
|
||||
# invoke the python script
|
||||
plot_dsf_k_fixed.py $omegafile $file
|
||||
done
|
||||
|
||||
cd $basedir
|
||||
echo '** Successfully plotted DSFs for c =' $c', k = '$nk'kFo4.\n'
|
||||
done
|
||||
done
|
||||
|
|
@ -1,5 +1,5 @@
|
|||
"""
|
||||
Plots benchmark files produced from Benchmark_RAW_File.
|
||||
Plot benchmark files produced from Benchmark_RAW_File.
|
||||
|
||||
Usage: python plot_benchmarks.py [benchmark file name].
|
||||
|
||||
|
|
|
|||
|
|
@ -0,0 +1,36 @@
|
|||
#! /usr/bin/env python
|
||||
|
||||
"""
|
||||
Plot fixed momentum DSF.
|
||||
|
||||
Usage: python plot_dsf_k_fixed.py [omega file] [dsf file]
|
||||
"""
|
||||
|
||||
import matplotlib.pyplot as plt
|
||||
import numpy as np
|
||||
import sys
|
||||
|
||||
omegafile = str(sys.argv[1])
|
||||
dsffile = str(sys.argv[2])
|
||||
|
||||
omega = np.loadtxt(omegafile)
|
||||
dsf = np.loadtxt(dsffile)
|
||||
|
||||
plt.plot(omega, dsf)
|
||||
|
||||
plt.xlabel('$\omega$')
|
||||
plt.ylabel('$S (k, \omega)$')
|
||||
|
||||
elements = dsffile.split('_')
|
||||
|
||||
c_int = elements[3]
|
||||
L = elements[5]
|
||||
N = elements[7]
|
||||
iK = elements[12]
|
||||
width = elements[20].partition('.')[0]
|
||||
|
||||
rho = int(N)/int(L)
|
||||
kokF = int(iK)*0.5/int(L)
|
||||
plt.title(f'c={c_int}, rho={rho} (N={N}), k={kokF}k_F, w={width}')
|
||||
|
||||
plt.savefig(dsffile.replace('.', '_') + '.png')
|
||||
|
|
@ -92,17 +92,45 @@ int main(int argc, char* argv[])
|
|||
ActualTime = omp_get_wtime();
|
||||
Secs_left = int(Max_Secs - (ActualTime - StartTime));
|
||||
|
||||
if (srsat < target_sumrule && Secs_left > Max_Secs/2)
|
||||
Scan_Info resulting_info;
|
||||
if (srsat < target_sumrule && Secs_left > Max_Secs/2) {
|
||||
// Improve the icmin calculation by one chunk:
|
||||
Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT, Secs_left, target_sumrule, refine);
|
||||
cout << "---\nTime left = " << Secs_left << " seconds." << endl;
|
||||
if (srsat > 0) {
|
||||
cout << "Continue with N = " << N << ". Sumrule previously achieved: " << srsat << endl;
|
||||
} else {
|
||||
cout << "Start with N = " << N << "." << endl;
|
||||
}
|
||||
resulting_info = Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT,
|
||||
Secs_left, target_sumrule, refine);
|
||||
cout << "Done with N = " << N
|
||||
<< ". Sumrule obtained: " << resulting_info.sumrule_obtained
|
||||
<< endl;
|
||||
}
|
||||
|
||||
if (resulting_info.sumrule_obtained > target_sumrule) {
|
||||
// Move files to storage, keeping a copy of the .src file in the current directory
|
||||
string command1 = "mkdir -p ../store/data/N_" + to_string(N);
|
||||
system(command1.c_str());
|
||||
string command2 = "mv *_N_" + to_string(N) + "* ../store/data/N_" + to_string(N) + "/";
|
||||
system(command2.c_str());
|
||||
string command3 = "cp ../store/data/N_" + to_string(N) + "/*src .";
|
||||
system(command3.c_str());
|
||||
}
|
||||
|
||||
ActualTime = omp_get_wtime();
|
||||
|
||||
Secs_left = int(Max_Secs - (ActualTime - StartTime));
|
||||
cout << "Done with N = " << N << ". Time left = " << Secs_left << " seconds." << endl;
|
||||
|
||||
if (Secs_left < 60) {
|
||||
cout << "Breaking out after N = " << N << " since time left = " << Secs_left << endl;
|
||||
if (Secs_left < 30) {
|
||||
if (resulting_info.sumrule_obtained > target_sumrule) {
|
||||
cout << "---\nBreaking out after completing N = " << N
|
||||
<< " since time left = " << Secs_left << " seconds." << endl;
|
||||
}
|
||||
else {
|
||||
cout << "---\nBreaking out while working on N = " << N
|
||||
<< " since allocated time is exhausted." << endl;
|
||||
}
|
||||
break;
|
||||
}
|
||||
|
||||
|
|
|
|||
|
|
@ -819,7 +819,11 @@ namespace ABACUS {
|
|||
<< exp(-paused_thread_data.logscale * paused_thread_data.lowest_il_with_nthreads_neq_0) << endl;
|
||||
LOG_outfile << "Resulting info: " << scan_info << endl;
|
||||
}
|
||||
LOG_outfile << "Code version " << ABACUS_VERSION << ", copyright J.-S. Caux." << endl << endl;
|
||||
time_t current_time = time(nullptr);
|
||||
char timestr[100];
|
||||
strftime(timestr, sizeof(timestr), "%Y-%m-%d %H:%M:%S", gmtime(¤t_time));
|
||||
LOG_outfile << "Run completion timestamp: " << timestr << " UTC" << endl;
|
||||
LOG_outfile << "ABACUS version " << ABACUS_VERSION << ", copyright J.-S. Caux." << endl << endl;
|
||||
LOG_outfile.close();
|
||||
}
|
||||
|
||||
|
|
@ -853,9 +857,9 @@ namespace ABACUS {
|
|||
|
||||
// General version for equilibrium correlators at generic (possibly finite) temperature:
|
||||
|
||||
void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
{
|
||||
|
||||
// This function scans the Hilbert space of the LiebLin gas,
|
||||
|
|
@ -960,30 +964,26 @@ namespace ABACUS {
|
|||
spsfile.close();
|
||||
|
||||
// Perform the scan:
|
||||
General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT, spstate, SeedScanState, "",
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
|
||||
return;
|
||||
return General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT, spstate, SeedScanState, "",
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
}
|
||||
|
||||
void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
|
||||
int Max_Secs, DP target_sumrule, bool refine)
|
||||
Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
|
||||
int Max_Secs, DP target_sumrule, bool refine)
|
||||
{
|
||||
int paralevel = 0;
|
||||
Vect<int> rank(0,1);
|
||||
Vect<int> nr_processors(0,1);
|
||||
|
||||
Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT, Max_Secs, target_sumrule,
|
||||
refine, paralevel, rank, nr_processors);
|
||||
|
||||
return;
|
||||
return Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT, Max_Secs, target_sumrule,
|
||||
refine, paralevel, rank, nr_processors);
|
||||
}
|
||||
|
||||
|
||||
// Scanning on an excited state defined by a set of Ix2:
|
||||
void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
{
|
||||
// This function is as Scan_LiebLin for generic T defined above, except that the
|
||||
// averaging is now done on a state defined by AveragingStateIx2
|
||||
|
|
@ -1024,30 +1024,28 @@ namespace ABACUS {
|
|||
DP kBT = 0.0;
|
||||
|
||||
// Perform the scan:
|
||||
General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT, AveragingState, SeedScanState, defaultScanStatename,
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
|
||||
return;
|
||||
|
||||
return General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT,
|
||||
AveragingState, SeedScanState, defaultScanStatename,
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
}
|
||||
|
||||
// Simplified function call of the above:
|
||||
void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine)
|
||||
Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine)
|
||||
{
|
||||
int paralevel = 0;
|
||||
Vect<int> rank(0,1);
|
||||
Vect<int> nr_processors(0,1);
|
||||
|
||||
Scan_LiebLin (whichDSF, AveragingState, defaultScanStatename, iKmin, iKmax, Max_Secs,
|
||||
target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
|
||||
return;
|
||||
return Scan_LiebLin (whichDSF, AveragingState, defaultScanStatename, iKmin, iKmax, Max_Secs,
|
||||
target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
}
|
||||
|
||||
// Scanning on a previously-defined AveragingState
|
||||
void Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, string defaultScanStatename, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
Scan_Info Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
{
|
||||
// General state scanning for Heisenberg chains
|
||||
|
||||
|
|
@ -1070,8 +1068,10 @@ namespace ABACUS {
|
|||
}
|
||||
|
||||
// Scanning on a previously-defined AveragingState
|
||||
void Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, string defaultScanStatename, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
Scan_Info Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
{
|
||||
// General state scanning for Heisenberg chains
|
||||
|
||||
|
|
@ -1088,14 +1088,16 @@ namespace ABACUS {
|
|||
else ABACUSerror("Unknown whichDSF in Scan_Heis.");
|
||||
|
||||
// Now the scan itself
|
||||
General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState,
|
||||
defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
return General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState,
|
||||
defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
|
||||
}
|
||||
|
||||
// Scanning on a previously-defined AveragingState
|
||||
void Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, string defaultScanStatename, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
Scan_Info Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, string defaultScanStatename,
|
||||
int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
{
|
||||
// General state scanning for Heisenberg chains
|
||||
|
||||
|
|
@ -1112,14 +1114,15 @@ namespace ABACUS {
|
|||
else ABACUSerror("Unknown whichDSF in Scan_Heis.");
|
||||
|
||||
// Now the scan itself
|
||||
General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState,
|
||||
defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
return General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState,
|
||||
defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
|
||||
}
|
||||
|
||||
|
||||
void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine,
|
||||
int paralevel, Vect<int> rank, Vect<int> nr_processors)
|
||||
{
|
||||
// This function scans the Hilbert space of the Heisenberg spin-1/2 chain
|
||||
// for the function identified by whichDSF.
|
||||
|
|
@ -1190,25 +1193,24 @@ namespace ABACUS {
|
|||
else ABACUSerror("Unknown whichDSF in Scan_Heis.");
|
||||
|
||||
// Now the scan itself
|
||||
General_Scan (whichDSF, iKmin, iKmax, N, 0.0, GroundState, SeedScanState, "",
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
return General_Scan (whichDSF, iKmin, iKmax, N, 0.0, GroundState, SeedScanState, "",
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
}
|
||||
|
||||
else ABACUSerror("Delta out of range in Heis_Structure_Factor");
|
||||
|
||||
return;
|
||||
return Scan_Info();
|
||||
}
|
||||
|
||||
void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine)
|
||||
Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
|
||||
int Max_Secs, DP target_sumrule, bool refine)
|
||||
{
|
||||
int paralevel = 0;
|
||||
Vect<int> rank(0,1);
|
||||
Vect<int> nr_processors(0,1);
|
||||
|
||||
Scan_Heis (whichDSF, Delta, N, M, iKmin, iKmax, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
|
||||
return;
|
||||
return Scan_Heis (whichDSF, Delta, N, M, iKmin, iKmax,
|
||||
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
|
||||
}
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -408,7 +408,7 @@ namespace ABACUS {
|
|||
LOG_outfile << "Refining in parallel mode using " << nr_processors_at_newlevel << " processors."
|
||||
<< endl << "Refining info: " << scan_info_refinement
|
||||
<< endl << "Resulting info: " << scan_info << endl;
|
||||
LOG_outfile << "Code version " << ABACUS_VERSION << ", copyright J.-S. Caux." << endl;
|
||||
LOG_outfile << "ABACUS version " << ABACUS_VERSION << ", copyright J.-S. Caux." << endl;
|
||||
LOG_outfile.close();
|
||||
|
||||
return;
|
||||
|
|
|
|||
|
|
@ -33,9 +33,9 @@ namespace ABACUS {
|
|||
{
|
||||
name << "LiebLin_";
|
||||
if (whichDSF == 'Z') name << "Z";
|
||||
else if (whichDSF == 'd') name << "Rho_Rho";
|
||||
else if (whichDSF == 'g') name << "Psi_Psidag";
|
||||
else if (whichDSF == 'o') name << "Psidag_Psi";
|
||||
else if (whichDSF == 'd') name << "rho-rho";
|
||||
else if (whichDSF == 'g') name << "psi-psidag";
|
||||
else if (whichDSF == 'o') name << "psidag-psi";
|
||||
else if (whichDSF == 'q') name << "GeomQuench";
|
||||
else if (whichDSF == '1') name << "Type_I_Exp_Data";
|
||||
else if (whichDSF == 'B') name << "BECg2";
|
||||
|
|
@ -58,9 +58,9 @@ namespace ABACUS {
|
|||
{
|
||||
name << "LiebLin_";
|
||||
if (whichDSF == 'Z') name << "Z";
|
||||
else if (whichDSF == 'd') name << "Rho_Rho";
|
||||
else if (whichDSF == 'g') name << "Psi_Psidag";
|
||||
else if (whichDSF == 'o') name << "Psidag_Psi";
|
||||
else if (whichDSF == 'd') name << "rho-rho";
|
||||
else if (whichDSF == 'g') name << "psi-psidag";
|
||||
else if (whichDSF == 'o') name << "psidag-psi";
|
||||
else if (whichDSF == 'q') name << "GeomQuench";
|
||||
else if (whichDSF == '1') name << "Type_I_Exp_Data";
|
||||
else if (whichDSF == 'B') name << "BECg2";
|
||||
|
|
|
|||
Loading…
Reference in New Issue