Psi4
psi4-dec.h
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1 /*
2  * @BEGIN LICENSE
3  *
4  * Psi4: an open-source quantum chemistry software package
5  *
6  * Copyright (c) 2007-2017 The Psi4 Developers.
7  *
8  * The copyrights for code used from other parties are included in
9  * the corresponding files.
10  *
11  * This program is free software; you can redistribute it and/or modify
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13  * the Free Software Foundation; either version 2 of the License, or
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15  *
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19  * GNU General Public License for more details.
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27 
28 #ifndef psi_include_psi4_dec_h
29 #define psi_include_psi4_dec_h
30 
31 #include "psi4/pragma.h"
32 #include <string>
33 #include <memory>
34 
37 
39 namespace psi {
40 
41  class PsiOutStream;
42  extern std::shared_ptr<PsiOutStream> outfile;
43  extern std::string outfile_name;
44 
45  extern char *psi_file_prefix;
46  extern std::string restart_id; // Does not have a default
47 
49 
50  // Very useful regex for matching floating point numbers
51  #define NUMBER "((?:[-+]?\\d*\\.\\d+(?:[DdEe][-+]?\\d+)?)|(?:[-+]?\\d+\\.\\d*(?:[DdEe][-+]?\\d+)?))"
52 
53  void die_if_not_converged();
54 
55 }//End namespace psi
56 #endif
char * psi_file_prefix
Definition: core.cc:96
PsiReturnType
Definition: psi4-dec.h:48
std::string outfile_name
Definition: core.cc:97
std::string restart_id
Definition: core.cc:98
Definition: psi4-dec.h:48
Definition: psi4-dec.h:48
Definition: psi4-dec.h:48
void die_if_not_converged()
Definition: process.cc:188
std::shared_ptr< PsiOutStream > outfile
Definition: core.cc:99
Definition: psi4-dec.h:48