Searched defs:force_bonds (Results 1 – 3 of 3) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mol_force.F | 40 SUBROUTINE force_bonds(id_type, rij, r0, k, cs, energy, fscalar) subroutine
46 CHARACTER(len=*), PARAMETER :: routineN = 'force_bonds', routineP = moduleN//':'//routineN argument
47 REAL(KIND=dp), PARAMETER :: f12 = 1.0_dp/2.0_dp, &
48 f13 = 1.0_dp/3.0_dp, &
49 f14 = 1.0_dp/4.0_dp
51 REAL(KIND=dp) :: dij, disp
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mol_force.F | 40 SUBROUTINE force_bonds(id_type, rij, r0, k, cs, energy, fscalar) subroutine
46 CHARACTER(len=*), PARAMETER :: routineN = 'force_bonds', routineP = moduleN//':'//routineN argument
47 REAL(KIND=dp), PARAMETER :: f12 = 1.0_dp/2.0_dp, &
48 f13 = 1.0_dp/3.0_dp, &
49 f14 = 1.0_dp/4.0_dp
51 REAL(KIND=dp) :: dij, disp
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| /dports/science/py-geometric/geometric-0.9.7.2/geometric/ |
| H A D | molecule.py | 2094 def build_topology(self, force_bonds=True, **kwargs): argument
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