Home
last modified time | relevance | path

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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddm_ls_scf_curvy.F73 IF (.NOT. ALLOCATED(ls_scf_env%curvy_data%matrix_dp)) THEN
193 CALL update_p_exp(curvy_data%matrix_p, ls_scf_env%matrix_p, curvy_data%matrix_dp, &
372 CALL dbcsr_copy(matrix_dp_old, matrix_dp(ispin))
401 CALL dbcsr_set(matrix_dp(ispin), 0.0_dp)
442 CALL dbcsr_dot(matrix_cg, matrix_dp(ispin), cg_numer(ispin))
446 CALL dbcsr_add(matrix_dp(ispin), matrix_dp_old, 1.0_dp, beta)
683 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_tmp, matrix_dp(ispin), &
777 CALL release_dbcsr_array(curvy_data%matrix_dp)
833 ALLOCATE (curvy_data%matrix_dp(nspins))
836 CALL dbcsr_create(curvy_data%matrix_dp(ispin), template=matrix_s, &
[all …]
H A Ddm_ls_scf_types.F55 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_dp component
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddm_ls_scf_curvy.F73 IF (.NOT. ALLOCATED(ls_scf_env%curvy_data%matrix_dp)) THEN
193 CALL update_p_exp(curvy_data%matrix_p, ls_scf_env%matrix_p, curvy_data%matrix_dp, &
372 CALL dbcsr_copy(matrix_dp_old, matrix_dp(ispin))
401 CALL dbcsr_set(matrix_dp(ispin), 0.0_dp)
442 CALL dbcsr_dot(matrix_cg, matrix_dp(ispin), cg_numer(ispin))
446 CALL dbcsr_add(matrix_dp(ispin), matrix_dp_old, 1.0_dp, beta)
683 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_tmp, matrix_dp(ispin), &
777 CALL release_dbcsr_array(curvy_data%matrix_dp)
833 ALLOCATE (curvy_data%matrix_dp(nspins))
836 CALL dbcsr_create(curvy_data%matrix_dp(ispin), template=matrix_s, &
[all …]
H A Ddm_ls_scf_types.F55 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_dp component