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ABACUS-v1
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Activate stat file

This commit is contained in:
Jean-Sébastien 2021-12-08 17:36:33 +01:00
parent 7207370426
commit 20c0035208
2 changed files with 8 additions and 3 deletions
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4
include/ABACUS_Utils.h
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@ -39,7 +39,7 @@ namespace ABACUS {
// Inexplicably missing string functions in standard library:
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 +47,7 @@ namespace ABACUS {
return repl;
}
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;

7
src/SCAN/General_Scan.cc
View File

@ -650,7 +650,12 @@ namespace ABACUS {
}
// Uncomment line below if .stat file is desired:
//STAT_outfile << setw(20) << label_here << "\t" << setw(5) << type_required << "\t" << setw(16) << std::scientific << running_scan_threshold << "\t" << setw(20) << ScanState.label << "\t" << setw(16) << data_value << "\t" << setw(16) << std::fixed << setprecision(8) << data_value/running_scan_threshold << endl;
STAT_outfile << setw(20) << label_here << "\t" << setw(5) << type_required
<< "\t" << setw(16) << std::scientific
<< exp(-paused_thread_data.logscale * il_to_do)
<< "\t" << setw(20) << ScanState.label << "\t" << setw(16) << data_value
<< "\t" << setw(16) << std::fixed << setprecision(8)
<< data_value/exp(-paused_thread_data.logscale * il_to_do) << endl;
} // if (ScanState.conv)
else {