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Searched refs:normalisesym (Results 1 – 19 of 19) sorted by relevance

/dports/devel/py-cclib/cclib-1.7.1/test/parser/
H A Dtestspecificparsers.py19 sym = ADF("dummyfile").normalisesym
26 sym = GAMESS("dummyfile").normalisesym
33 sym = GAMESSUK("dummyfile.txt").normalisesym
40 sym = Gaussian("dummyfile").normalisesym
47 sym = Jaguar("dummyfile").normalisesym
54 sym = Molcas("dummyfile").normalisesym
61 sym = Molpro("dummyfile").normalisesym
68 sym = Psi4("dummyfile").normalisesym
75 sym = Turbomole("dummyfile").normalisesym
/dports/devel/py-cclib/cclib-1.7.1/cclib/parser/
H A Dadfparser.py35 def normalisesym(self, label): member in ADF
652 self.mosyms[0].append(self.normalisesym(info[0]))
676 self.mosyms[0].append(self.normalisesym(info[0]))
694 self.mosyms[1].append(self.normalisesym(info[0]))
1047 symm = self.normalisesym(line.split()[1])
1113 sym1 = str(index1) + self.normalisesym(symtext)
1119 sym2 = str(index2) + self.normalisesym(symtext)
H A Dturbomoleparser.py71 def normalisesym(self, label): member in Turbomole
590 syms = [self.normalisesym(sym) for sym in line.split()[1:]]
669 sym = self.normalisesym(sym)
945 start_MO_irrep = (int(parts[0]), self.normalisesym(parts[1]))
954 end_MO_irrep = (int(parts[3]), self.normalisesym(parts[4]))
1149 sym = self.normalisesym(rematch.group(2))
1342 def normalisesym(self, label): member in OldTurbomole
H A Djaguarparser.py35 def normalisesym(self, label): member in Jaguar
359 syms = [self.normalisesym(s) for s in syms]
643 self.vibsyms.extend(list(map(self.normalisesym, line[1:])))
H A Ddaltonparser.py35 def normalisesym(self, label): member in DALTON
171 irreps = [self.normalisesym(irrep) for irrep in line.split()[8:][1::2]]
787 sym = self.normalisesym(cols[1])
791 sym = self.normalisesym(self.symlabels[int(cols[0]) - 1])
H A Dgamessukparser.py36 def normalisesym(self, label): member in GAMESSUK
486 mosyms.append(self.normalisesym(t[i]))
489 mosyms.append(self.normalisesym(temp)) # add twice for 'e', etc.
H A Dmopacparser.py46 def normalisesym(self, label): member in MOPAC
H A Dpsi3parser.py32 def normalisesym(self, label): member in Psi3
H A Dgamessparser.py61 def normalisesym(self, label): member in GAMESS
1085 self.mosyms[0].extend(list(map(self.normalisesym, line.split())))
1192 self.mosyms[1].extend(list(map(self.normalisesym, line.split())))
H A Dfchkparser.py76 def normalisesym(self, symlabel): member in FChk
H A Dlogfileparser.py392 def normalisesym(self, symlabel): member in Logfile
H A Dgaussianparser.py36 def normalisesym(self, label): member in Gaussian
1139 self.mosyms[0].append(self.normalisesym(x.strip('()')))
1166 self.mosyms[1].append(self.normalisesym(x.strip('()')))
H A Dmolcasparser.py35 def normalisesym(self, label): member in Molcas
H A Dmolproparser.py67 def normalisesym(self, label): member in Molpro
H A Dnwchemparser.py36 def normalisesym(self, label): member in NWChem
H A Dpsi4parser.py56 def normalisesym(self, label): member in Psi4
H A Dqchemparser.py36 def normalisesym(self, label): member in QChem
H A Dorcaparser.py37 def normalisesym(self, label): member in ORCA
/dports/devel/py-cclib/cclib-1.7.1/test/data/
H A DtestGeoOpt.py97 self.logfile.normalisesym("A")