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Searched refs:semi_empirical_release (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_se_forces.F45 semi_empirical_release,&
228 CALL semi_empirical_release(se_kind_mm)
H A Dqmmm_se_energy.F60 semi_empirical_release,&
234 CALL semi_empirical_release(se_kind_mm)
H A Dsemi_empirical_types.F167 semi_empirical_release, &
209 SUBROUTINE semi_empirical_release(sep) subroutine
242 END SUBROUTINE semi_empirical_release
H A Dqs_kind_types.F95 semi_empirical_release,&
277 CALL semi_empirical_release(qs_kind_set(ikind)%se_parameter)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_se_forces.F45 semi_empirical_release,&
228 CALL semi_empirical_release(se_kind_mm)
H A Dqmmm_se_energy.F60 semi_empirical_release,&
234 CALL semi_empirical_release(se_kind_mm)
H A Dsemi_empirical_types.F167 semi_empirical_release, &
209 SUBROUTINE semi_empirical_release(sep) subroutine
242 END SUBROUTINE semi_empirical_release
H A Dqs_kind_types.F94 semi_empirical_release,&
275 CALL semi_empirical_release(qs_kind_set(ikind)%se_parameter)