Searched refs:eigvals_lambda (Results 1 – 4 of 4) sorted by relevance
116 POINTER :: eigvals_lambda => Null(), & component223 ALLOCATE (admm_env%eigvals_lambda(nspins))283 ALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals)285 ALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals%data(nmo))287 admm_env%eigvals_lambda(ispin)%eigvals%data = 0.0_dp383 DEALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals%data)385 DEALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals)388 DEALLOCATE (admm_env%eigvals_lambda)
527 admm_env%eigvals_lambda(ispin)%eigvals%data)530 eig_work(i) = 1.0_dp/SQRT(admm_env%eigvals_lambda(ispin)%eigvals%data(i))1056 eig_diff = (admm_env%eigvals_lambda(ispin)%eigvals%data(i) - &1057 admm_env%eigvals_lambda(ispin)%eigvals%data(j))1060 tmp32 = 1.0_dp/SQRT(admm_env%eigvals_lambda(ispin)%eigvals%data(j))**31061 tmp52 = tmp32/admm_env%eigvals_lambda(ispin)%eigvals%data(j)*eig_diff1062 tmp72 = tmp52/admm_env%eigvals_lambda(ispin)%eigvals%data(j)*eig_diff1063 tmp92 = tmp72/admm_env%eigvals_lambda(ispin)%eigvals%data(j)*eig_diff1068 pole = 1.0_dp/SQRT(admm_env%eigvals_lambda(ispin)%eigvals%data(i))1070 pole = pole/(admm_env%eigvals_lambda(ispin)%eigvals%data(i) - &[all …]
141 POINTER :: eigvals_lambda => Null(), & component250 ALLOCATE (admm_env%eigvals_lambda(nspins))310 ALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals)312 ALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals%data(nmo))314 admm_env%eigvals_lambda(ispin)%eigvals%data = 0.0_dp414 DEALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals%data)416 DEALLOCATE (admm_env%eigvals_lambda(ispin)%eigvals)419 DEALLOCATE (admm_env%eigvals_lambda)
756 admm_env%eigvals_lambda(ispin)%eigvals%data)759 eig_work(i) = 1.0_dp/SQRT(admm_env%eigvals_lambda(ispin)%eigvals%data(i))1285 eig_diff = (admm_env%eigvals_lambda(ispin)%eigvals%data(i) - &1286 admm_env%eigvals_lambda(ispin)%eigvals%data(j))1289 tmp32 = 1.0_dp/SQRT(admm_env%eigvals_lambda(ispin)%eigvals%data(j))**31290 tmp52 = tmp32/admm_env%eigvals_lambda(ispin)%eigvals%data(j)*eig_diff1291 tmp72 = tmp52/admm_env%eigvals_lambda(ispin)%eigvals%data(j)*eig_diff1292 tmp92 = tmp72/admm_env%eigvals_lambda(ispin)%eigvals%data(j)*eig_diff1297 pole = 1.0_dp/SQRT(admm_env%eigvals_lambda(ispin)%eigvals%data(i))1299 pole = pole/(admm_env%eigvals_lambda(ispin)%eigvals%data(i) - &[all …]