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Searched refs:kTS_sum (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dalmo_scf_qs.F687 SUBROUTINE almo_dm_to_qs_ks(qs_env, matrix_p, energy_total, mat_distr_aos, smear, kTS_sum) argument
693 REAL(KIND=dp), INTENT(IN), OPTIONAL :: kTS_sum local
711 IF (PRESENT(kTS_sum)) THEN
712 entropic_term = kTS_sum
752 mat_distr_aos, smear, kTS_sum) argument
759 REAL(KIND=dp), INTENT(IN), OPTIONAL :: kTS_sum local
777 IF (PRESENT(kTS_sum)) THEN
778 entropic_term = kTS_sum
786 kTS_sum=entropic_term)
H A Dalmo_scf.F530 REAL(KIND=dp) :: alpha, cs_pos, energy, kTS_sum local
737 kTS_sum = SUM(almo_scf_env%kTS)
739 kTS_sum = 0.0_dp
749 kTS_sum=kTS_sum)
H A Dalmo_scf_optimizer.F148 error_norm_ispin, kTS_sum, prev_error_norm, t1, t2, true_mixing_fraction local
378 kTS_sum = SUM(almo_scf_env%kTS)
380 kTS_sum = 0.0_dp
391 kTS_sum=kTS_sum)
463 error_norm_0, kTS_sum, spin_factor, t1, t2 local
775 kTS_sum = SUM(almo_scf_env%kTS)
777 kTS_sum = 0.0_dp
787 kTS_sum=kTS_sum)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dalmo_scf_qs.F687 SUBROUTINE almo_dm_to_qs_ks(qs_env, matrix_p, energy_total, mat_distr_aos, smear, kTS_sum) argument
693 REAL(KIND=dp), INTENT(IN), OPTIONAL :: kTS_sum local
711 IF (PRESENT(kTS_sum)) THEN
712 entropic_term = kTS_sum
752 mat_distr_aos, smear, kTS_sum) argument
759 REAL(KIND=dp), INTENT(IN), OPTIONAL :: kTS_sum local
777 IF (PRESENT(kTS_sum)) THEN
778 entropic_term = kTS_sum
786 kTS_sum=entropic_term)
H A Dalmo_scf.F519 REAL(KIND=dp) :: alpha, cs_pos, energy, kTS_sum local
726 kTS_sum = SUM(almo_scf_env%kTS)
728 kTS_sum = 0.0_dp
738 kTS_sum=kTS_sum)
H A Dalmo_scf_optimizer.F131 error_norm_ispin, kTS_sum, prev_error_norm, t1, t2, true_mixing_fraction local
363 kTS_sum = SUM(almo_scf_env%kTS)
365 kTS_sum = 0.0_dp
376 kTS_sum=kTS_sum)
448 error_norm_0, kTS_sum, spin_factor, t1, t2 local
766 kTS_sum = SUM(almo_scf_env%kTS)
768 kTS_sum = 0.0_dp
778 kTS_sum=kTS_sum)