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Searched refs:matrix_sinv (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddkh_main.F112 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)
H A Dxas_tdp_utils.F1034 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddkh_main.F112 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)
H A Dxas_tdp_utils.F1091 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)