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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dadmm_types.F95 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)
H A Dadmm_methods.F536 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, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dadmm_types.F120 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)
H A Dadmm_methods.F765 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, &