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Searched refs:matrix_h_kp (Results 1 – 18 of 18) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_ks_types.F353 … matrix_h_kp, matrix_ks_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, & argument
379 POINTER :: matrix_h_kp, matrix_ks_kp, & local
449 IF (PRESENT(matrix_h_kp)) matrix_h_kp => get_2d_pointer(ks_env%matrix_h)
609 … matrix_h_kp, matrix_ks_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, & argument
630 POINTER :: matrix_h_kp, matrix_ks_kp, & local
663 IF (PRESENT(matrix_h_kp)) CALL set_2d_pointer(ks_env%matrix_h, matrix_h_kp)
H A Dqs_core_hamiltonian.F346 CALL get_qs_env(qs_env=qs_env, matrix_h_kp=matrix_h)
411 CALL set_ks_env(ks_env, matrix_s_kp=matrix_s, kinetic_kp=matrix_t, matrix_h_kp=matrix_h)
676 CALL get_qs_env(qs_env, matrix_h_kp=matrixkp_h, kinetic_kp=matrixkp_t)
702 CALL get_qs_env(qs_env, matrix_h_kp=matrixkp_h)
H A Dqs_initial_guess.F162 … TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_h_kp, matrix_ks_kp, matrix_s_kp, & local
182 NULLIFY (matrix_s_kp, matrix_h_kp, matrix_ks_kp, rho_ao_kp)
195 matrix_h_kp=matrix_h_kp, &
217 h_core_sparse => matrix_h_kp(:, 1)
H A Dqs_environment_types.F497 …matrix_h_kp, matrix_ks_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, matrix_s_RI_aux_kp… argument
548 POINTER :: matrix_h_kp, matrix_ks_kp, & local
778 matrix_h_kp=matrix_h_kp, &
H A Dqs_dftb_matrices.F173 matrix_h_kp=matrix_h, &
188 CALL set_ks_env(ks_env, matrix_h_kp=matrix_h)
546 matrix_h_kp=matrix_h, &
H A Dxtb_matrices.F195 matrix_h_kp=matrix_h, &
277 CALL set_ks_env(ks_env, matrix_h_kp=matrix_h)
994 matrix_h_kp=matrix_h, &
H A Dqs_ks_methods.F270 matrix_h_kp=matrix_h, &
1159 matrix_h_kp=matrixkp_h)
H A Dhfx_admm_utils.F253 matrix_h_kp=matrix_h, &
H A Dqs_active_space_methods.F829 CALL get_qs_env(qs_env=qs_env, matrix_h_kp=h_matrix)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_ks_types.F353 … matrix_h_kp, matrix_ks_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, & argument
379 POINTER :: matrix_h_kp, matrix_ks_kp, & local
449 IF (PRESENT(matrix_h_kp)) matrix_h_kp => get_2d_pointer(ks_env%matrix_h)
609 … matrix_h_kp, matrix_ks_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, & argument
630 POINTER :: matrix_h_kp, matrix_ks_kp, & local
663 IF (PRESENT(matrix_h_kp)) CALL set_2d_pointer(ks_env%matrix_h, matrix_h_kp)
H A Dqs_core_hamiltonian.F344 CALL get_qs_env(qs_env=qs_env, matrix_h_kp=matrix_h)
409 CALL set_ks_env(ks_env, matrix_s_kp=matrix_s, kinetic_kp=matrix_t, matrix_h_kp=matrix_h)
674 CALL get_qs_env(qs_env, matrix_h_kp=matrixkp_h, kinetic_kp=matrixkp_t)
700 CALL get_qs_env(qs_env, matrix_h_kp=matrixkp_h)
H A Dqs_initial_guess.F168 … TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_h_kp, matrix_ks_kp, matrix_s_kp, & local
190 NULLIFY (matrix_s_kp, matrix_h_kp, matrix_ks_kp, rho_ao_kp)
204 matrix_h_kp=matrix_h_kp, &
231 h_core_sparse => matrix_h_kp(:, 1)
H A Dqs_environment_types.F509 …matrix_h_kp, matrix_ks_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, matrix_s_RI_aux_kp… argument
560 POINTER :: matrix_h_kp, matrix_ks_kp, & local
798 matrix_h_kp=matrix_h_kp, &
H A Dqs_dftb_matrices.F173 matrix_h_kp=matrix_h, &
188 CALL set_ks_env(ks_env, matrix_h_kp=matrix_h)
546 matrix_h_kp=matrix_h, &
H A Dxtb_matrices.F195 matrix_h_kp=matrix_h, &
278 CALL set_ks_env(ks_env, matrix_h_kp=matrix_h)
998 matrix_h_kp=matrix_h, &
H A Dqs_ks_methods.F274 matrix_h_kp=matrix_h, &
1179 matrix_h_kp=matrixkp_h)
H A Dhfx_admm_utils.F372 matrix_h_kp=matrix_h, &
H A Dqs_active_space_methods.F829 CALL get_qs_env(qs_env=qs_env, matrix_h_kp=h_matrix)