Changes in src/config.cpp [1a6bda:ad011c]
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src/config.cpp
r1a6bda rad011c 60 60 FastParsing(false), 61 61 Deltat(0.01), 62 basis(""), 62 63 databasepath(NULL), 63 64 DoConstrainedMD(0), … … 116 117 strcpy(pseudopotpath,"not specified"); 117 118 configname[0]='\0'; 119 basis = "3-21G"; 118 120 }; 119 121 … … 784 786 *output << ")" << endl; 785 787 *output << "basis<GaussianBasisSet>: (" << endl; 786 *output << "\tname = \" 3-21G\"" << endl;788 *output << "\tname = \"" << basis << "\"" << endl; 787 789 *output << "\tmolecule = $:molecule" << endl; 788 790 *output << ")" << endl;
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