Searched defs:dipint (Results 1 – 5 of 5) sorted by relevance
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/dntmc/ |
H A D | averagehist_5.F | 60 double precision averagedipint, dipint, dipinthold variable
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/dports/science/libefp/libefp-1.5.0/src/ |
H A D | efp.c | 924 size_t n_vir, const double *dipint) in efp_set_dipole_integrals()
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
H A D | scf-base.cpp | 222 std::vector<arma::mat> dipint(basis.moment(1,cen.x,cen.y,cen.z)); in SCF() local 241 std::vector<arma::mat> dipint(basis.moment(2,0.0,0.0,0.0)); in SCF() local
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/dports/biology/molden/molden5.8/ |
H A D | espot.f | 1156 subroutine dipint(l1max,l2max,l12mxp, subroutine
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
H A D | scf-base.cpp | 225 std::vector<arma::mat> dipint(basis.moment(1,cen.x,cen.y,cen.z)); in SCF() local
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