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Searched refs:fileext_to_filename (Results 1 – 7 of 7) sorted by relevance

/dports/science/mpqc/mpqc-2.3.1/src/lib/util/misc/
H A Dformio.h72 static char *fileext_to_filename(const char *extension);
H A Dformio.cc53 SCFormIO::fileext_to_filename(const char *ext) in fileext_to_filename() function in SCFormIO
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/
H A Dfdhess.cc74 checkpoint_file_ = SCFormIO::fileext_to_filename(".ckpt.hess"); in FinDispMolecularHessian()
75 restart_file_ = SCFormIO::fileext_to_filename(".ckpt.hess"); in FinDispMolecularHessian()
95 char *def_file = SCFormIO::fileext_to_filename(".ckpt.hess"); in FinDispMolecularHessian()
H A Denergy.cc137 char* filename = SCFormIO::fileext_to_filename(".wfn.ckpt"); in MolecularEnergy()
182 char* filename = SCFormIO::fileext_to_filename(".wfn.ckpt"); in MolecularEnergy()
H A Dhess.cc397 KeyValValueString default_filename(SCFormIO::fileext_to_filename(".hess"), in ReadMolecularHessian()
/dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/
H A Dmpqc.cc862 char *hessfile = SCFormIO::fileext_to_filename(".hess"); in try_main()
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/
H A Dcsgrad.cc941 char *doutname = SCFormIO::fileext_to_filename(".mp2"); in compute_cs_grad()