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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dalmo_scf_diis_types.F93 SUBROUTINE almo_scf_diis_init_dbcsr(diis_env, sample_err, sample_var, error_type, & argument
97 TYPE(dbcsr_type), INTENT(IN) :: sample_err, sample_var local
124 template=sample_err)
157 SUBROUTINE almo_scf_diis_init_domain(diis_env, sample_err, error_type, & argument
162 INTENT(IN) :: sample_err local
183 ndomains = SIZE(sample_err)
197 diis_env%m_b(:)%domain = sample_err(:)%domain
H A Dalmo_scf_optimizer.F181 sample_err=almo_scf_env%matrix_ks_blk(ispin), &
551 sample_err=almo_scf_env%domain_s_sqrt(:, ispin), &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dalmo_scf_diis_types.F93 SUBROUTINE almo_scf_diis_init_dbcsr(diis_env, sample_err, sample_var, error_type, & argument
97 TYPE(dbcsr_type), INTENT(IN) :: sample_err, sample_var local
124 template=sample_err)
157 SUBROUTINE almo_scf_diis_init_domain(diis_env, sample_err, error_type, & argument
162 INTENT(IN) :: sample_err local
183 ndomains = SIZE(sample_err)
197 diis_env%m_b(:)%domain = sample_err(:)%domain
H A Dalmo_scf_optimizer.F166 sample_err=almo_scf_env%matrix_ks_blk(ispin), &
536 sample_err=almo_scf_env%domain_s_sqrt(:, ispin), &