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Searched refs:SetElectrostaticCutOff (Results 1 – 13 of 13) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/ops/
H A Dgen3d.cpp146 pFF->SetElectrostaticCutOff(20.0); in Do()
H A Dforcefield.cpp252 pFF->SetElectrostaticCutOff(rele); in Do()
H A Dconformer.cpp167 pFF->SetElectrostaticCutOff(20.0); in Do()
/dports/science/openbabel/openbabel-3.1.1/tools/
H A Dobminimize.cpp194 pFF->SetElectrostaticCutOff(rele); in main()
/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dforcefield.h811 void SetElectrostaticCutOff(double r) in SetElectrostaticCutOff() function
/dports/science/openbabel/openbabel-3.1.1/scripts/perl/
H A DOpenBabel.pm4154 *SetElectrostaticCutOff = *Chemistry::OpenBabelc::OBForceField_SetElectrostaticCutOff;
H A Dopenbabel-perl.cpp23225 …arg2 = static_cast< double >(val2); (arg1)->SetElectrostaticCutOff(arg2); ST(argvi) = sv_newmortal… in XS()
/dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/
H A Dopenbabel.py3450 OBForceField.SetElectrostaticCutOff = new_instancemethod(_openbabel.OBForceField_SetElectrostaticCu…
H A Dopenbabel-python.cpp34869 …arg2 = static_cast< double >(val2); (arg1)->SetElectrostaticCutOff(arg2); resultobj = SWIG_Py_Void… in _wrap_OBForceField_SetElectrostaticCutOff()
/dports/science/openbabel/openbabel-3.1.1/scripts/csharp/
H A Dopenbabel-csharp.cpp11391 arg2 = (double)jarg2; (arg1)->SetElectrostaticCutOff(arg2); } in CSharp_OpenBabel_OBForceField_SetElectrostaticCutOff()
/dports/science/openbabel/openbabel-3.1.1/scripts/java/
H A Dopenbabel-java.cpp10235 …(OpenBabel::OBForceField **)&jarg1; arg2 = (double)jarg2; (arg1)->SetElectrostaticCutOff(arg2); } in Java_org_openbabel_openbabel_1javaJNI_OBForceField_1SetElectrostaticCutOff()
/dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/
H A Dopenbabel-R.cpp25585 …(arg1)->SetElectrostaticCutOff(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect) Rf_unpr… in R_swig_OBForceField_SetElectrostaticCutOff()
/dports/science/openbabel/openbabel-3.1.1/scripts/ruby/
H A Dopenbabel-ruby.cpp33766 …arg2 = static_cast< double >(val2); (arg1)->SetElectrostaticCutOff(arg2); return Qnil; fail: retur… in _wrap_OBForceField_set_electrostatic_cut_off()