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Searched refs:ri_ovlp_inv (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_environment_init.F346 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
H A Dlri_environment_types.F190 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)
H A Dlri_environment_methods.F270 lrii%sinv(1:nfa, 1:nfa) = lri_env%bas_prop(ikind)%ri_ovlp_inv(1:nfa, 1:nfa)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_environment_init.F346 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
H A Dlri_environment_types.F190 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)
H A Dlri_environment_methods.F270 lrii%sinv(1:nfa, 1:nfa) = lri_env%bas_prop(ikind)%ri_ovlp_inv(1:nfa, 1:nfa)