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Searched refs:fm_work1 (Results 1 – 7 of 7) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpopulation_analyses.F93 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
109 NULLIFY (fm_work1)
174 CALL cp_fm_create(matrix=fm_work1, &
185 CALL cp_fm_power(fm_s_half, fm_work1, 0.5_dp, scf_control%eps_eigval, ndep)
195 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
203 matrix_b=fm_work1, &
229 CALL cp_fm_release(matrix=fm_work1)
H A Dqs_linres_op.F135 TYPE(cp_fm_type), POINTER :: fm_work1, mo_coeff local
151 logger, particle_set, lr_section, fm_work1, &
371 CALL cp_fm_create(fm_work1, tmp_fm_struct)
396 CALL cp_fm_set_all(fm_work1, 0.0_dp)
398 fm_work1, ncol=nmo, alpha=-1.0_dp)
400 1.0_dp, fm_work1)
402 CALL cp_fm_set_all(fm_work1, 0.0_dp)
404 fm_work1, ncol=nmo, alpha=-1.0_dp)
406 -1.0_dp, fm_work1)
413 CALL cp_fm_release(fm_work1)
H A Ddft_plus_u.F234 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
257 NULLIFY (fm_work1)
350 fm_work1 => scf_env%scf_work1(1)%matrix
356 IF ((.NOT. ASSOCIATED(fm_work1)) .OR. &
363 IF (.NOT. ASSOCIATED(fm_work1)) THEN
364 CALL cp_fm_create(matrix=fm_work1, &
411 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
419 matrix_b=fm_work1, &
774 CALL cp_dbcsr_sm_fm_multiply(sm_v, fm_s_half, fm_work1, nsgf)
775 CALL cp_fm_transpose(fm_work1, fm_work2)
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpopulation_analyses.F93 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
109 NULLIFY (fm_work1)
174 CALL cp_fm_create(matrix=fm_work1, &
185 CALL cp_fm_power(fm_s_half, fm_work1, 0.5_dp, scf_control%eps_eigval, ndep)
195 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
203 matrix_b=fm_work1, &
229 CALL cp_fm_release(matrix=fm_work1)
H A Dqs_linres_op.F135 TYPE(cp_fm_type), POINTER :: fm_work1, mo_coeff local
151 logger, particle_set, lr_section, fm_work1, &
371 CALL cp_fm_create(fm_work1, tmp_fm_struct)
396 CALL cp_fm_set_all(fm_work1, 0.0_dp)
398 fm_work1, ncol=nmo, alpha=-1.0_dp)
400 1.0_dp, fm_work1)
402 CALL cp_fm_set_all(fm_work1, 0.0_dp)
404 fm_work1, ncol=nmo, alpha=-1.0_dp)
406 -1.0_dp, fm_work1)
413 CALL cp_fm_release(fm_work1)
H A Ddft_plus_u.F234 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
257 NULLIFY (fm_work1)
350 fm_work1 => scf_env%scf_work1(1)%matrix
356 IF ((.NOT. ASSOCIATED(fm_work1)) .OR. &
363 IF (.NOT. ASSOCIATED(fm_work1)) THEN
364 CALL cp_fm_create(matrix=fm_work1, &
411 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
419 matrix_b=fm_work1, &
774 CALL cp_dbcsr_sm_fm_multiply(sm_v, fm_s_half, fm_work1, nsgf)
775 CALL cp_fm_transpose(fm_work1, fm_work2)
[all …]
H A Dqs_tddfpt2_stda_utils.F280 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1 local
341 CALL cp_fm_create(matrix=fm_work1, matrix_struct=fmstruct, name="TMP MATRIX")
344 CALL cp_fm_power(fm_s_half, fm_work1, 0.5_dp, scf_control%eps_eigval, ndep)
351 CALL cp_fm_release(matrix=fm_work1)