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Searched refs:input_parse (Results 1 – 25 of 91) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/
H A Dnw_inp_from_file.F62 logical input_parse, status
63 external input_parse
76 status = input_parse(rtdb)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/
H A Dnw_inp_from_file.F62 logical input_parse, status
63 external input_parse
76 status = input_parse(rtdb)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/python/
H A Disodesmic.nw35 input_parse('''
40 input_parse(geometry)
H A Dbpy.nw22 input_parse(geometry + 'scf; vectors atomic; maxiter 999; uhf; doublet; end\n')
25 input_parse(geometry + 'scf; vectors atomic; maxiter 999; uhf; singlet; end\n')
H A Dcoulombfitting.atom.nw121 input_parse(basis)
125 input_parse(basis)
152 input_parse(calc_setup)
165 input_parse(string)
H A Dcoulombfitting.XH.mol.nw123 input_parse(basis)
127 input_parse(basis)
156 input_parse(calc_setup)
169 input_parse(string)
H A Dcoulombfitting.XF.mol.nw124 input_parse(basis)
128 input_parse(basis)
157 input_parse(calc_setup)
170 input_parse(string)
/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/python/
H A Disodesmic.nw35 input_parse('''
40 input_parse(geometry)
H A Dbpy.nw22 input_parse(geometry + 'scf; vectors atomic; maxiter 999; uhf; doublet; end\n')
25 input_parse(geometry + 'scf; vectors atomic; maxiter 999; uhf; singlet; end\n')
H A Dcoulombfitting.atom.nw121 input_parse(basis)
125 input_parse(basis)
152 input_parse(calc_setup)
165 input_parse(string)
H A Dcoulombfitting.XH.mol.nw123 input_parse(basis)
127 input_parse(basis)
156 input_parse(calc_setup)
169 input_parse(string)
H A Dcoulombfitting.XF.mol.nw124 input_parse(basis)
128 input_parse(basis)
157 input_parse(calc_setup)
170 input_parse(string)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/
H A Dnwchem.F83 logical input_parse
84 external input_parse
306 10 if (input_parse(rtdb)) then ! while (tasks to do)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/
H A Dnwchem.F86 logical input_parse
87 external input_parse
310 10 if (input_parse(rtdb)) then ! while (tasks to do)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/mrcc/
H A DREADME4 in ../../input GNUmakefile input_parse.F
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/mrcc/
H A DREADME4 in ../../input GNUmakefile input_parse.F
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/user/
H A Dpython.tex109 \item \verb+input_parse(string)+ --- invokes the standard NWChem input
255 input_parse('''
274 inside a call to \verb+input_parse()+ in the Python program. The
302 input_parse('''
345 input_parse(geometry % x)
384 input_parse(geometry + 'scf; vectors atomic; end\n')
435 input_parse('''
491 input_parse('''
496 input_parse(geometry)
645 generate standard NWChem input and pass it to \verb+input_parse()+
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/doc/user/
H A Dpython.tex109 \item \verb+input_parse(string)+ --- invokes the standard NWChem input
255 input_parse('''
274 inside a call to \verb+input_parse()+ in the Python program. The
302 input_parse('''
345 input_parse(geometry % x)
384 input_parse(geometry + 'scf; vectors atomic; end\n')
435 input_parse('''
491 input_parse('''
496 input_parse(geometry)
645 generate standard NWChem input and pass it to \verb+input_parse()+
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/python/tests/
H A Dscanexp_simple.nw20 input_parse('''
H A Dscanexp2.nw21 input_parse('''
H A Dscanexp.nw26 input_parse('''
/dports/science/nwchem-data/nwchem-7.0.2-release/src/python/tests/
H A Dscanexp_simple.nw20 input_parse('''
H A Dscanexp2.nw21 input_parse('''
/dports/science/nwchem-data/nwchem-7.0.2-release/src/input/
H A DGNUmakefile7 OBJ = input_parse.o input_mem.o memory_input.o input_set.o \
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/input/
H A DGNUmakefile7 OBJ = input_parse.o input_mem.o memory_input.o input_set.o \

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