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Searched refs:geom_calc_dihedral (Results 1 – 2 of 2) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/geom/
H A Dgeom.F5558 geom_calc_dihedral = .true.
5561 geom_calc_dihedral = geom_calc_angle(ain,bin,cin,abc)
5562 geom_calc_dihedral = geom_calc_dihedral.and.
5564 geom_calc_dihedral = geom_calc_dihedral.and.
5566 geom_calc_dihedral = geom_calc_dihedral.and.
5568 if (.not.geom_calc_dihedral) then
5654 geom_calc_dihedral = .false.
6505 logical geom_calc_dihedral
6510 external geom_calc_dihedral
6792 if (.not.geom_calc_dihedral
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/geom/
H A Dgeom.F5564 geom_calc_dihedral = .true.
5567 geom_calc_dihedral = geom_calc_angle(ain,bin,cin,abc)
5568 geom_calc_dihedral = geom_calc_dihedral.and.
5570 geom_calc_dihedral = geom_calc_dihedral.and.
5572 geom_calc_dihedral = geom_calc_dihedral.and.
5574 if (.not.geom_calc_dihedral) then
5660 geom_calc_dihedral = .false.
6511 logical geom_calc_dihedral
6516 external geom_calc_dihedral
6798 if (.not.geom_calc_dihedral
[all …]