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Searched defs:dipint (Results 1 – 5 of 5) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/dntmc/
H A Daveragehist_5.F60 double precision averagedipint, dipint, dipinthold variable
/dports/science/libefp/libefp-1.5.0/src/
H A Defp.c924 size_t n_vir, const double *dipint) in efp_set_dipole_integrals()
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/
H A Dscf-base.cpp222 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
/dports/biology/molden/molden5.8/
H A Despot.f1156 subroutine dipint(l1max,l2max,l12mxp, subroutine
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/
H A Dscf-base.cpp225 std::vector<arma::mat> dipint(basis.moment(1,cen.x,cen.y,cen.z)); in SCF() local