Searched refs:ri_ovlp_inv (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_environment_init.F | 346 REAL(KIND=dp), DIMENSION(:, :), POINTER :: orb_ovlp, ri_ovlp, ri_ovlp_inv local 401 ALLOCATE (ri_ovlp_inv(ri_basis%nsgf, ri_basis%nsgf)) 402 CALL invert_matrix(ri_ovlp, ri_ovlp_inv, delta, improve=.TRUE.) 403 lri_env%bas_prop(ikind)%ri_ovlp_inv => ri_ovlp_inv
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H A D | lri_environment_types.F | 190 REAL(KIND=dp), DIMENSION(:, :), POINTER :: ri_ovlp_inv component 753 lrii%asinv => lri_env%bas_prop(ikind)%ri_ovlp_inv 754 lrii%bsinv => lri_env%bas_prop(jkind)%ri_ovlp_inv 1122 IF (ASSOCIATED(lri_env%bas_prop(i)%ri_ovlp_inv)) THEN 1123 DEALLOCATE (lri_env%bas_prop(i)%ri_ovlp_inv)
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H A D | lri_environment_methods.F | 270 lrii%sinv(1:nfa, 1:nfa) = lri_env%bas_prop(ikind)%ri_ovlp_inv(1:nfa, 1:nfa)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_environment_init.F | 346 REAL(KIND=dp), DIMENSION(:, :), POINTER :: orb_ovlp, ri_ovlp, ri_ovlp_inv local 401 ALLOCATE (ri_ovlp_inv(ri_basis%nsgf, ri_basis%nsgf)) 402 CALL invert_matrix(ri_ovlp, ri_ovlp_inv, delta, improve=.TRUE.) 403 lri_env%bas_prop(ikind)%ri_ovlp_inv => ri_ovlp_inv
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H A D | lri_environment_types.F | 190 REAL(KIND=dp), DIMENSION(:, :), POINTER :: ri_ovlp_inv component 768 lrii%asinv => lri_env%bas_prop(ikind)%ri_ovlp_inv 769 lrii%bsinv => lri_env%bas_prop(jkind)%ri_ovlp_inv 1137 IF (ASSOCIATED(lri_env%bas_prop(i)%ri_ovlp_inv)) THEN 1138 DEALLOCATE (lri_env%bas_prop(i)%ri_ovlp_inv)
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H A D | lri_environment_methods.F | 270 lrii%sinv(1:nfa, 1:nfa) = lri_env%bas_prop(ikind)%ri_ovlp_inv(1:nfa, 1:nfa)
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