Searched refs:fm_work2 (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | population_analyses.F | 93 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
110 NULLIFY (fm_work2)
178 CALL cp_fm_create(matrix=fm_work2, &
205 matrix_c=fm_work2)
210 fm_work2%name = TRIM(headline)//" FOR ALPHA SPIN"
212 fm_work2%name = TRIM(headline)//" FOR BETA SPIN"
215 CALL write_fm_with_basis_info(fm_work2, 4, 6, qs_env, para_env, &
218 CALL cp_fm_get_diag(fm_work2, orbpop(:, ispin))
230 CALL cp_fm_release(matrix=fm_work2)
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| H A D | dft_plus_u.F | 258 NULLIFY (fm_work2)
354 fm_work2 => scf_env%scf_work2
357 (.NOT. ASSOCIATED(fm_work2))) THEN
369 IF (.NOT. ASSOCIATED(fm_work2)) THEN
370 CALL cp_fm_create(matrix=fm_work2, &
421 matrix_c=fm_work2)
427 CALL write_fm_with_basis_info(fm_work2, 4, 6, qs_env, para_env, &
435 CALL copy_fm_to_dbcsr(fm_work2, sm_q, keep_sparsity=.TRUE.)
775 CALL cp_fm_transpose(fm_work1, fm_work2)
776 CALL cp_dbcsr_plus_fm_fm_t(sm_h, fm_s_half, fm_work2, nsgf)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | population_analyses.F | 93 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
110 NULLIFY (fm_work2)
178 CALL cp_fm_create(matrix=fm_work2, &
205 matrix_c=fm_work2)
210 fm_work2%name = TRIM(headline)//" FOR ALPHA SPIN"
212 fm_work2%name = TRIM(headline)//" FOR BETA SPIN"
215 CALL write_fm_with_basis_info(fm_work2, 4, 6, qs_env, para_env, &
218 CALL cp_fm_get_diag(fm_work2, orbpop(:, ispin))
230 CALL cp_fm_release(matrix=fm_work2)
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| H A D | dft_plus_u.F | 258 NULLIFY (fm_work2)
354 fm_work2 => scf_env%scf_work2
357 (.NOT. ASSOCIATED(fm_work2))) THEN
369 IF (.NOT. ASSOCIATED(fm_work2)) THEN
370 CALL cp_fm_create(matrix=fm_work2, &
421 matrix_c=fm_work2)
427 CALL write_fm_with_basis_info(fm_work2, 4, 6, qs_env, para_env, &
435 CALL copy_fm_to_dbcsr(fm_work2, sm_q, keep_sparsity=.TRUE.)
775 CALL cp_fm_transpose(fm_work1, fm_work2)
776 CALL cp_dbcsr_plus_fm_fm_t(sm_h, fm_s_half, fm_work2, nsgf)
[all …]
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