Searched refs:kTS_sum (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | almo_scf_qs.F | 687 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)
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H A D | almo_scf.F | 530 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)
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H A D | almo_scf_optimizer.F | 148 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | almo_scf_qs.F | 687 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)
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H A D | almo_scf.F | 519 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)
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H A D | almo_scf_optimizer.F | 131 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)
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