Searched refs:lambda_inv_sqrt (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | admm_types.F | 95 lambda_inv_sqrt => Null(), & component 216 ALLOCATE (admm_env%lambda_inv_sqrt(nspins)) 264 …CALL cp_fm_create(admm_env%lambda_inv_sqrt(ispin)%matrix, fm_struct_nmo_nmo, name="lambda_inv_sqrt… 362 CALL cp_fm_release(admm_env%lambda_inv_sqrt(ispin)%matrix) 392 DEALLOCATE (admm_env%lambda_inv_sqrt)
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H A D | admm_methods.F | 536 admm_env%lambda_inv_sqrt(ispin)%matrix) 538 1.0_dp, mo_coeff, admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, & 591 CALL cp_fm_set_all(admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, 1.0_dp) 1046 … 1.0_dp, admm_env%H(ispin)%matrix, admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, & 1785 … 1.0_dp, admm_env%work_aux_nmo(ispin)%matrix, admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | admm_types.F | 120 lambda_inv_sqrt => Null(), & component 243 ALLOCATE (admm_env%lambda_inv_sqrt(nspins)) 291 …CALL cp_fm_create(admm_env%lambda_inv_sqrt(ispin)%matrix, fm_struct_nmo_nmo, name="lambda_inv_sqrt… 393 CALL cp_fm_release(admm_env%lambda_inv_sqrt(ispin)%matrix) 423 DEALLOCATE (admm_env%lambda_inv_sqrt)
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H A D | admm_methods.F | 765 admm_env%lambda_inv_sqrt(ispin)%matrix) 767 1.0_dp, mo_coeff, admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, & 820 CALL cp_fm_set_all(admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, 1.0_dp) 1275 … 1.0_dp, admm_env%H(ispin)%matrix, admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, & 2078 … 1.0_dp, admm_env%work_aux_nmo(ispin)%matrix, admm_env%lambda_inv_sqrt(ispin)%matrix, 0.0_dp, &
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