/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | almo_scf_types.F | 19 domain_submatrix_type 351 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_preconditioner 352 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_inv 353 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_sqrt 354 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_sqrt_inv 355 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_ks_xx 356 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_t 357 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_err 358 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_r_down_up
|
H A D | domain_submatrix_types.F | 25 PUBLIC :: domain_submatrix_type, domain_map_type 29 TYPE domain_submatrix_type type 42 END TYPE domain_submatrix_type
|
H A D | domain_submatrix_methods.F | 103 TYPE(domain_submatrix_type), DIMENSION(:), & 122 TYPE(domain_submatrix_type), DIMENSION(:, :), & 143 TYPE(domain_submatrix_type), DIMENSION(:), & 145 TYPE(domain_submatrix_type), DIMENSION(:), & 299 TYPE(domain_submatrix_type), DIMENSION(:), & 367 TYPE(domain_submatrix_type), DIMENSION(:), & 572 TYPE(domain_submatrix_type), DIMENSION(:), & 575 TYPE(domain_submatrix_type), DIMENSION(:), & 683 TYPE(domain_submatrix_type), DIMENSION(:), & 686 TYPE(domain_submatrix_type), DIMENSION(:), & [all …]
|
H A D | almo_scf_diis_types.F | 28 USE domain_submatrix_types, ONLY: domain_submatrix_type 64 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: d_var 65 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: d_err 68 TYPE(domain_submatrix_type), DIMENSION(:), ALLOCATABLE :: m_b 161 TYPE(domain_submatrix_type), DIMENSION(:), & 223 TYPE(domain_submatrix_type), DIMENSION(:), & 343 TYPE(domain_submatrix_type), DIMENSION(:), & 479 TYPE(domain_submatrix_type), INTENT(INOUT), &
|
H A D | almo_scf_methods.F | 101 TYPE(domain_submatrix_type), ALLOCATABLE, & 733 TYPE(domain_submatrix_type), ALLOCATABLE, & 2077 TYPE(domain_submatrix_type), DIMENSION(:), & 2079 TYPE(domain_submatrix_type), DIMENSION(:), & 2095 TYPE(domain_submatrix_type), ALLOCATABLE, & 2197 TYPE(domain_submatrix_type), DIMENSION(:), & 2204 TYPE(domain_submatrix_type), DIMENSION(:), & 2222 TYPE(domain_submatrix_type), ALLOCATABLE, & 2437 TYPE(domain_submatrix_type), ALLOCATABLE, & 2510 TYPE(domain_submatrix_type), ALLOCATABLE, & [all …]
|
H A D | almo_scf_optimizer.F | 454 TYPE(domain_submatrix_type), ALLOCATABLE, & 890 TYPE(domain_submatrix_type), ALLOCATABLE, & 4957 TYPE(domain_submatrix_type), DIMENSION(:), & 5389 TYPE(domain_submatrix_type), DIMENSION(:), & 5554 TYPE(domain_submatrix_type), DIMENSION(:), & 5564 TYPE(domain_submatrix_type), DIMENSION(:), & 5566 TYPE(domain_submatrix_type), DIMENSION(:), & 5568 TYPE(domain_submatrix_type), DIMENSION(:), & 5576 TYPE(domain_submatrix_type), DIMENSION(:), & 6022 TYPE(domain_submatrix_type), DIMENSION(:, :), & [all …]
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | almo_scf_types.F | 19 domain_submatrix_type 351 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_preconditioner 352 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_inv 353 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_sqrt 354 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_sqrt_inv 355 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_ks_xx 356 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_t 357 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_err 358 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_r_down_up
|
H A D | domain_submatrix_types.F | 25 PUBLIC :: domain_submatrix_type, domain_map_type 29 TYPE domain_submatrix_type type 42 END TYPE domain_submatrix_type
|
H A D | domain_submatrix_methods.F | 103 TYPE(domain_submatrix_type), DIMENSION(:), & 122 TYPE(domain_submatrix_type), DIMENSION(:, :), & 143 TYPE(domain_submatrix_type), DIMENSION(:), & 145 TYPE(domain_submatrix_type), DIMENSION(:), & 299 TYPE(domain_submatrix_type), DIMENSION(:), & 367 TYPE(domain_submatrix_type), DIMENSION(:), & 572 TYPE(domain_submatrix_type), DIMENSION(:), & 575 TYPE(domain_submatrix_type), DIMENSION(:), & 683 TYPE(domain_submatrix_type), DIMENSION(:), & 686 TYPE(domain_submatrix_type), DIMENSION(:), & [all …]
|
H A D | almo_scf_diis_types.F | 28 USE domain_submatrix_types, ONLY: domain_submatrix_type 64 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: d_var 65 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: d_err 68 TYPE(domain_submatrix_type), DIMENSION(:), ALLOCATABLE :: m_b 161 TYPE(domain_submatrix_type), DIMENSION(:), & 223 TYPE(domain_submatrix_type), DIMENSION(:), & 343 TYPE(domain_submatrix_type), DIMENSION(:), & 479 TYPE(domain_submatrix_type), INTENT(INOUT), &
|
H A D | almo_scf_methods.F | 144 TYPE(domain_submatrix_type), ALLOCATABLE, & 776 TYPE(domain_submatrix_type), ALLOCATABLE, & 2120 TYPE(domain_submatrix_type), DIMENSION(:), & 2122 TYPE(domain_submatrix_type), DIMENSION(:), & 2138 TYPE(domain_submatrix_type), ALLOCATABLE, & 2241 TYPE(domain_submatrix_type), DIMENSION(:), & 2248 TYPE(domain_submatrix_type), DIMENSION(:), & 2268 TYPE(domain_submatrix_type), ALLOCATABLE, & 2493 TYPE(domain_submatrix_type), ALLOCATABLE, & 2566 TYPE(domain_submatrix_type), ALLOCATABLE, & [all …]
|
H A D | almo_scf_optimizer.F | 469 TYPE(domain_submatrix_type), ALLOCATABLE, & 904 TYPE(domain_submatrix_type), ALLOCATABLE, & 5967 TYPE(domain_submatrix_type), DIMENSION(:), & 6809 TYPE(domain_submatrix_type), DIMENSION(:), & 6976 TYPE(domain_submatrix_type), DIMENSION(:), & 6985 TYPE(domain_submatrix_type), DIMENSION(:), & 6987 TYPE(domain_submatrix_type), DIMENSION(:), & 6989 TYPE(domain_submatrix_type), DIMENSION(:), & 6997 TYPE(domain_submatrix_type), DIMENSION(:), & 7489 TYPE(domain_submatrix_type), ALLOCATABLE, & [all …]
|