Searched refs:matrix_sinv (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | dkh_main.F | 112 matrix_ev3, matrix_ev4, matrix_pe1p, matrix_rev, matrix_se, matrix_sinv local 145 NULLIFY (matrix_sinv) 155 CALL cp_fm_create(matrix_sinv, matrix_full) 164 CALL cp_fm_to_fm(matrix_s, matrix_sinv) 165 CALL cp_fm_cholesky_decompose(matrix_sinv, n) 171 CALL cp_fm_cholesky_reduce(matrix_t, matrix_sinv) 185 CALL cp_fm_triangular_multiply(matrix_sinv, matrix_rev, transpose_tr=.TRUE.) 209 CALL cp_fm_cholesky_reduce(matrix_v, matrix_sinv) 218 CALL cp_fm_cholesky_reduce(matrix_pVp, matrix_sinv) 306 CALL cp_fm_release(matrix_sinv)
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H A D | xas_tdp_utils.F | 1034 TYPE(dbcsr_type) :: matrix_sinv local 1093 CALL dbcsr_copy(matrix_sinv, matrix_s(1)%matrix) 1094 CALL cp_dbcsr_cholesky_decompose(matrix_sinv, para_env=para_env, blacs_env=blacs_env) 1095 …CALL cp_dbcsr_cholesky_invert(matrix_sinv, para_env=para_env, blacs_env=blacs_env, upper_to_full=.… 1098 CALL dbcsr_iterator_start(iter, matrix_sinv) 1104 CALL dbcsr_get_block_p(matrix_sinv, iblk, jblk, work_block, found_block) 1123 CALL dbcsr_release(matrix_sinv)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | dkh_main.F | 112 matrix_ev3, matrix_ev4, matrix_pe1p, matrix_rev, matrix_se, matrix_sinv local 145 NULLIFY (matrix_sinv) 155 CALL cp_fm_create(matrix_sinv, matrix_full) 164 CALL cp_fm_to_fm(matrix_s, matrix_sinv) 165 CALL cp_fm_cholesky_decompose(matrix_sinv, n) 171 CALL cp_fm_cholesky_reduce(matrix_t, matrix_sinv) 185 CALL cp_fm_triangular_multiply(matrix_sinv, matrix_rev, transpose_tr=.TRUE.) 209 CALL cp_fm_cholesky_reduce(matrix_v, matrix_sinv) 218 CALL cp_fm_cholesky_reduce(matrix_pVp, matrix_sinv) 306 CALL cp_fm_release(matrix_sinv)
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H A D | xas_tdp_utils.F | 1091 TYPE(dbcsr_type) :: matrix_sinv local 1150 CALL dbcsr_copy(matrix_sinv, matrix_s(1)%matrix) 1151 CALL cp_dbcsr_cholesky_decompose(matrix_sinv, para_env=para_env, blacs_env=blacs_env) 1152 …CALL cp_dbcsr_cholesky_invert(matrix_sinv, para_env=para_env, blacs_env=blacs_env, upper_to_full=.… 1155 CALL dbcsr_iterator_start(iter, matrix_sinv) 1161 CALL dbcsr_get_block_p(matrix_sinv, iblk, jblk, work_block, found_block) 1180 CALL dbcsr_release(matrix_sinv)
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