/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_ri_libint.F | 485 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 506 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & 510 ALLOCATE (screen_coeffs_pgf_large(SIZE(screen_coeffs_pgf, 1), SIZE(screen_coeffs_pgf, 2))) 516 DO iiB = 1, SIZE(screen_coeffs_pgf, 1) 517 DO jjB = 1, SIZE(screen_coeffs_pgf, 2) 1003 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & argument 1040 DIMENSION(:, :, :, :, :, :), POINTER :: screen_coeffs_pgf, radii_pgf local 1188 screen_coeffs_pgf => shm_master_x_data%screen_funct_coeffs_pgf
|
H A D | mp2_direct_method.F | 177 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 200 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & 503 tmp_screen_pgf1 => screen_coeffs_pgf(:, :, jset, iset, jkind, ikind) 504 tmp_screen_pgf2 => screen_coeffs_pgf(:, :, lset, kset, lkind, kkind)
|
H A D | hfx_derivatives.F | 211 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 564 screen_coeffs_pgf => actual_x_data%screen_funct_coeffs_pgf 1281 tmp_screen_pgf1 => screen_coeffs_pgf(:, :, jset, iset, jkind, ikind) 1282 tmp_screen_pgf2 => screen_coeffs_pgf(:, :, lset, kset, lkind, kkind)
|
H A D | hfx_energy_potential.F | 239 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 840 screen_coeffs_pgf => shm_master_x_data%screen_funct_coeffs_pgf 1517 tmp_screen_pgf1 => screen_coeffs_pgf(:, :, jset, iset, jkind, ikind) 1518 tmp_screen_pgf2 => screen_coeffs_pgf(:, :, lset, kset, lkind, kkind)
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_ri_libint.F | 485 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 506 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & 510 ALLOCATE (screen_coeffs_pgf_large(SIZE(screen_coeffs_pgf, 1), SIZE(screen_coeffs_pgf, 2))) 516 DO iiB = 1, SIZE(screen_coeffs_pgf, 1) 517 DO jjB = 1, SIZE(screen_coeffs_pgf, 2) 1003 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & argument 1040 DIMENSION(:, :, :, :, :, :), POINTER :: screen_coeffs_pgf, radii_pgf local 1188 screen_coeffs_pgf => shm_master_x_data%screen_funct_coeffs_pgf
|
H A D | mp2_direct_method.F | 177 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 200 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & 503 tmp_screen_pgf1 => screen_coeffs_pgf(:, :, jset, iset, jkind, ikind) 504 tmp_screen_pgf2 => screen_coeffs_pgf(:, :, lset, kset, lkind, kkind)
|
H A D | hfx_derivatives.F | 208 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 558 screen_coeffs_pgf => actual_x_data%screen_funct_coeffs_pgf 1273 tmp_screen_pgf1 => screen_coeffs_pgf(:, :, jset, iset, jkind, ikind) 1274 tmp_screen_pgf2 => screen_coeffs_pgf(:, :, lset, kset, lkind, kkind)
|
H A D | hfx_energy_potential.F | 239 DIMENSION(:, :, :, :, :, :), POINTER :: radii_pgf, screen_coeffs_pgf local 840 screen_coeffs_pgf => shm_master_x_data%screen_funct_coeffs_pgf 1517 tmp_screen_pgf1 => screen_coeffs_pgf(:, :, jset, iset, jkind, ikind) 1518 tmp_screen_pgf2 => screen_coeffs_pgf(:, :, lset, kset, lkind, kkind)
|