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Searched
path:forcefields
(Results
1 – 23
of
23
) sorted by relevance
/dports/science/openbabel/openbabel-3.1.1/src/forcefields/
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forcefieldgaff.h
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forcefieldghemical.cpp
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forcefieldmmff94.cpp
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forcefielduff.h
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forcefieldgaff.cpp
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forcefieldmmff94.h
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forcefieldghemical.h
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forcefieldmm2.cpp
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forcefieldmm2.h
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forcefielduff.cpp
/dports/science/py-ase/ase-3.22.0/ase/test/forcefields/
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__init__.py
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test_aic.py
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test_tip4p.py
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test_tipnp.py
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test_acn.py
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test_combine_mm.py
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test_combine_mm2.py
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test_counterions.py
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test_forceqmmm.py
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test_qmmm.py
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test_qmmm_acn.py
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test_rattle.py
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test_rattle_linear.py