jscaux/ABACUS-v1
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Fix uncommitted changes from previously

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This commit is contained in:
Jean-Sébastien Caux
2023-04-07 09:57:54 +02:00
parent 08c85cf590
commit 6ea82da104
8 changed files with 198 additions and 39 deletions
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include/ABACUS_Scan.h
+21 -9
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@@ -25,12 +25,20 @@ namespace ABACUS {
// Functions in src/UTILS/Data_File_Name.cc:
void Data_File_Name (std::stringstream& name, char whichDSF, DP c_int, DP L, int N,
int iKmin, int iKmax, DP kBT, DP L2, std::string defaultname);
std::string Data_Filename (char whichDSF, DP c_int, DP L, int N,
int iKmin, int iKmax, DP kBT, DP L2, std::string defaultname);
void Data_File_Name (std::stringstream& name, char whichDSF, int iKmin, int iKmax, DP kBT,
LiebLin_Bethe_State& State, LiebLin_Bethe_State& RefScanState, std::string defaultname);
std::string Data_Filename (char whichDSF, int iKmin, int iKmax, DP kBT,
LiebLin_Bethe_State& State, LiebLin_Bethe_State& RefScanState, std::string defaultname);
void Data_File_Name (std::stringstream& name, char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
DP kBT, int N2, std::string defaultname);
std::string Data_Filename (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
DP kBT, int N2, std::string defaultname);
void Data_File_Name (std::stringstream& name, char whichDSF, int iKmin, int iKmax, DP kBT,
Heis_Bethe_State& State, Heis_Bethe_State& RefScanState, std::string defaultname);
std::string Data_Filename (char whichDSF, int iKmin, int iKmax, DP kBT,
Heis_Bethe_State& State, Heis_Bethe_State& RefScanState, std::string defaultname);
void ODSLF_Data_File_Name (std::stringstream& name, char whichDSF, DP Delta, int N, int M,
int iKmin, int iKmax, DP kBT, int N2, std::string defaultname);
void Data_File_Name (std::stringstream& name, char whichDSF, int iKmin, int iKmax, DP kBT,
@@ -149,8 +157,10 @@ namespace ABACUS {
Scan_Info(); // constructor, puts everything to zero
Scan_Info (DP sr, DP Nf, long long int Ni, long long int Nd, long long int Ndc, long long int Ndc0, double t);
void Save (const char* outfile_Cstr);
void Load (const char* infile_Cstr);
// void Save (const char* outfile_Cstr);
// void Load (const char* infile_Cstr);
void Save (std::string outfile_str);
void Load (std::string infile_str);
inline Scan_Info& operator = (const Scan_Info& ref_info)
{
@@ -409,8 +419,10 @@ namespace ABACUS {
inline void Raise_Scanning_Flags (DP threshold); // checks whether base/type should be scanned based on simpler base/type combinations
inline void Order_in_SRC ();
inline void Save_Info (const char* sumfile_Cstr);
inline void Load_Info (const char* sumfile_Cstr);
// inline void Save_Info (const char* sumfile_Cstr);
// inline void Load_Info (const char* sumfile_Cstr);
inline void Save_Info (std::string sumfile_str);
inline void Load_Info (std::string sumfile_str);
};
// Do the explicit class specializations:
@@ -775,11 +787,11 @@ namespace ABACUS {
}
template<class Tstate>
inline void Scan_State_List<Tstate>::Save_Info (const char* sumfile_Cstr)
inline void Scan_State_List<Tstate>::Save_Info (std::string sumfile_str)
{
std::ofstream outfile;
outfile.open(sumfile_Cstr);
outfile.open(sumfile_str);
if (outfile.fail()) ABACUSerror("Could not open outfile... ");
outfile.setf(std::ios::fixed);
@@ -803,12 +815,12 @@ namespace ABACUS {
}
template<class Tstate>
inline void Scan_State_List<Tstate>::Load_Info (const char* sumfile_Cstr)
inline void Scan_State_List<Tstate>::Load_Info (std::string sumfile_str)
{
std::ifstream infile;
infile.open(sumfile_Cstr);
infile.open(sumfile_str);
if(infile.fail()) {
std::cout << std::endl << sumfile_Cstr << std::endl;
std::cout << std::endl << sumfile_str << std::endl;
ABACUSerror("Could not open input file in Scan_State_List::Load_Info.");
}
include/ABACUS_Utils.h
+6
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@@ -39,6 +39,12 @@ namespace ABACUS {
// Inexplicably missing string functions in standard library:
inline std::string DP_to_string (DP value) {
std::stringstream s;
s << std::setprecision(16) << value;
return s.str();
}
inline std::string replace(const std::string& str,
const std::string& from,
const std::string& to) {