Searched refs:mixed_matrix_s (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mixed_cdft_types.F | 67 TYPE(dbcsr_type), POINTER :: mixed_matrix_s component
610 NULLIFY (matrix%mixed_matrix_s)
637 IF (ASSOCIATED(matrix%mixed_matrix_s)) THEN
638 CALL dbcsr_release_p(matrix%mixed_matrix_s)
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| H A D | mixed_cdft_utils.F | 1076 TYPE(dbcsr_type), POINTER :: mixed_matrix_s local
1087 mixed_matrix_s, density_matrix, blacs_env, w_matrix, force_env_qs)
1155 CALL dbcsr_init_p(mixed_cdft%matrix%mixed_matrix_s)
1156 mixed_matrix_s => mixed_cdft%matrix%mixed_matrix_s
1348 CALL copy_fm_to_dbcsr_bc(mixed_matrix_s_tmp%matrix, mixed_matrix_s)
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| H A D | mixed_cdft_methods.F | 1197 TYPE(dbcsr_type), POINTER :: mixed_matrix_s local
1209 Tinverse, tmp2, w_matrix_mo, mixed_mo_coeff, mixed_matrix_s, &
1236 CPASSERT(ASSOCIATED(mixed_cdft%matrix%mixed_matrix_s))
1239 mixed_matrix_s => mixed_cdft%matrix%mixed_matrix_s
1404 CALL cp_dbcsr_sm_fm_multiply(mixed_matrix_s, mixed_mo_coeff(istate, ispin)%matrix, &
2083 TYPE(dbcsr_type), POINTER :: mixed_matrix_s local
2090 mixed_mo_coeff, mixed_matrix_s, force_env_section)
2098 mixed_matrix_s => mixed_cdft%matrix%mixed_matrix_s
2155 CALL make_basis_sm(mo_set(ispin)%mo_set%mo_coeff, ncol_mo(ispin), mixed_matrix_s)
2179 CALL cp_dbcsr_sm_fm_multiply(mixed_matrix_s, mo_set(ispin)%mo_set%mo_coeff, &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mixed_cdft_types.F | 67 TYPE(dbcsr_type), POINTER :: mixed_matrix_s component
610 NULLIFY (matrix%mixed_matrix_s)
637 IF (ASSOCIATED(matrix%mixed_matrix_s)) THEN
638 CALL dbcsr_release_p(matrix%mixed_matrix_s)
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| H A D | mixed_cdft_utils.F | 1076 TYPE(dbcsr_type), POINTER :: mixed_matrix_s local
1087 mixed_matrix_s, density_matrix, blacs_env, w_matrix, force_env_qs)
1155 CALL dbcsr_init_p(mixed_cdft%matrix%mixed_matrix_s)
1156 mixed_matrix_s => mixed_cdft%matrix%mixed_matrix_s
1348 CALL copy_fm_to_dbcsr_bc(mixed_matrix_s_tmp%matrix, mixed_matrix_s)
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| H A D | mixed_cdft_methods.F | 1198 TYPE(dbcsr_type), POINTER :: mixed_matrix_s local
1210 Tinverse, tmp2, w_matrix_mo, mixed_mo_coeff, mixed_matrix_s, &
1237 CPASSERT(ASSOCIATED(mixed_cdft%matrix%mixed_matrix_s))
1240 mixed_matrix_s => mixed_cdft%matrix%mixed_matrix_s
1405 CALL cp_dbcsr_sm_fm_multiply(mixed_matrix_s, mixed_mo_coeff(istate, ispin)%matrix, &
2084 TYPE(dbcsr_type), POINTER :: mixed_matrix_s local
2091 mixed_mo_coeff, mixed_matrix_s, force_env_section)
2099 mixed_matrix_s => mixed_cdft%matrix%mixed_matrix_s
2156 CALL make_basis_sm(mo_set(ispin)%mo_set%mo_coeff, ncol_mo(ispin), mixed_matrix_s)
2180 CALL cp_dbcsr_sm_fm_multiply(mixed_matrix_s, mo_set(ispin)%mo_set%mo_coeff, &
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