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 file is part of Psi4.
12  *
13  * Psi4 is free software; you can redistribute it and/or modify
14  * it under the terms of the GNU Lesser General Public License as published by
15  * the Free Software Foundation, version 3.
16  *
17  * Psi4 is distributed in the hope that it will be useful,
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19  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
20  * GNU Lesser General Public License for more details.
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23  * with Psi4; if not, write to the Free Software Foundation, Inc.,
24  * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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27  */
28 
29 #ifndef psi_include_psi4_dec_h
30 #define psi_include_psi4_dec_h
31 
32 #include "psi4/pragma.h"
33 #include <string>
34 #include <memory>
35 
38 
40 namespace psi {
41 
42  class PsiOutStream;
43  extern std::shared_ptr<PsiOutStream> outfile;
44  extern std::string outfile_name;
45 
46  extern char *psi_file_prefix;
47  extern std::string restart_id; // Does not have a default
48 
50 
51  // Very useful regex for matching floating point numbers
52  #define NUMBER "((?:[-+]?\\d*\\.\\d+(?:[DdEe][-+]?\\d+)?)|(?:[-+]?\\d+\\.\\d*(?:[DdEe][-+]?\\d+)?))"
53 
54  void die_if_not_converged();
55 
56 }//End namespace psi
57 #endif
char * psi_file_prefix
Definition: core.cc:98
PsiReturnType
Definition: psi4-dec.h:49
std::string outfile_name
Definition: core.cc:99
std::string restart_id
Definition: core.cc:100
Definition: psi4-dec.h:49
Definition: psi4-dec.h:49
Definition: psi4-dec.h:49
void die_if_not_converged()
Definition: process.cc:189
std::shared_ptr< PsiOutStream > outfile
Definition: core.cc:101
Definition: psi4-dec.h:49