Home
last modified time | relevance | path

Searched refs:dftb_param_ji (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_dftb_matrices.F137 TYPE(qs_dftb_pairpot_type), POINTER :: dftb_param_ij, dftb_param_ji local
252 dftb_param_ji => dftb_potential(jkind, ikind)
258 CPASSERT(dftb_param_ij%llm == dftb_param_ji%llm)
262 fmatji => dftb_param_ji%fmat
263 smatji => dftb_param_ji%smat
698 TYPE(qs_dftb_pairpot_type), POINTER :: dftb_param_ij, dftb_param_ji local
761 dftb_param_ji => dftb_potential(jkind, ikind)
767 CPASSERT(dftb_param_ij%llm == dftb_param_ji%llm)
770 smatji => dftb_param_ji%smat
H A Dqs_dftb_coulomb.F636 TYPE(qs_dftb_pairpot_type), POINTER :: dftb_param_ij, dftb_param_ji local
711 dftb_param_ji => dftb_potential(jkind, ikind)
717 CPASSERT(dftb_param_ij%llm == dftb_param_ji%llm)
720 smatji => dftb_param_ji%smat
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_dftb_matrices.F137 TYPE(qs_dftb_pairpot_type), POINTER :: dftb_param_ij, dftb_param_ji local
252 dftb_param_ji => dftb_potential(jkind, ikind)
258 CPASSERT(dftb_param_ij%llm == dftb_param_ji%llm)
262 fmatji => dftb_param_ji%fmat
263 smatji => dftb_param_ji%smat
698 TYPE(qs_dftb_pairpot_type), POINTER :: dftb_param_ij, dftb_param_ji local
761 dftb_param_ji => dftb_potential(jkind, ikind)
767 CPASSERT(dftb_param_ij%llm == dftb_param_ji%llm)
770 smatji => dftb_param_ji%smat
H A Dqs_dftb_coulomb.F636 TYPE(qs_dftb_pairpot_type), POINTER :: dftb_param_ij, dftb_param_ji local
711 dftb_param_ji => dftb_potential(jkind, ikind)
717 CPASSERT(dftb_param_ij%llm == dftb_param_ji%llm)
720 smatji => dftb_param_ji%smat