gcc_orig (reference) in projects: dports

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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	lri_optimize_ri_basis_types.F	`35 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig component 126 DEALLOCATE (lri_opt%ri_gcc_orig(i)%gcc_orig) 142 SUBROUTINE get_original_gcc(gcc_orig, gto_basis_set, lri_opt) argument 144 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local 160 ALLOCATE (gcc_orig(maxpgf, maxshell, nset)) 161 gcc_orig = 0.0_dp 171 gcc_orig(ipgf, ishell, iset) = gcca/(prefaczeta*expzet)`
H A D	lri_optimize_ri_basis.F	292 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local 295 NULLIFY (fbas, gcc_orig, npgf, nshell, zet) 352 gcc_orig => lri_opt%ri_gcc_orig(ikind)%gcc_orig 356 CALL orthonormalize_gcc(gcc_orig, fbas, lri_opt) 470 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local 473 NULLIFY (fbas, gcc_orig, npgf, nshell, zet_trans, zet) 511 gcc_orig => lri_opt%ri_gcc_orig(ikind)%gcc_orig 521 CALL orthonormalize_gcc(gcc_orig, fbas, lri_opt) 630 fbas%gcc = lri_opt%ri_gcc_orig(ikind)%gcc_orig 986 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	lri_optimize_ri_basis_types.F	`35 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig component 126 DEALLOCATE (lri_opt%ri_gcc_orig(i)%gcc_orig) 142 SUBROUTINE get_original_gcc(gcc_orig, gto_basis_set, lri_opt) argument 144 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local 160 ALLOCATE (gcc_orig(maxpgf, maxshell, nset)) 161 gcc_orig = 0.0_dp 171 gcc_orig(ipgf, ishell, iset) = gcca/(prefaczeta*expzet)`
H A D	lri_optimize_ri_basis.F	292 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local 295 NULLIFY (fbas, gcc_orig, npgf, nshell, zet) 352 gcc_orig => lri_opt%ri_gcc_orig(ikind)%gcc_orig 356 CALL orthonormalize_gcc(gcc_orig, fbas, lri_opt) 470 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local 473 NULLIFY (fbas, gcc_orig, npgf, nshell, zet_trans, zet) 511 gcc_orig => lri_opt%ri_gcc_orig(ikind)%gcc_orig 521 CALL orthonormalize_gcc(gcc_orig, fbas, lri_opt) 630 fbas%gcc = lri_opt%ri_gcc_orig(ikind)%gcc_orig 986 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: gcc_orig local [all …]