Searched refs:matrix_dp (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | dm_ls_scf_curvy.F | 73 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 …]
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H A D | dm_ls_scf_types.F | 55 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_dp component
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | dm_ls_scf_curvy.F | 73 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 …]
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H A D | dm_ls_scf_types.F | 55 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_dp component
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