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"serialization/src/LangevinIntegratorProxy.cpp" did not exist on "c738761235977f63683a1f3dafccdea64d39ec95"
Unverified Commit df12b67a authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #2421 from dotsdl/feature-add_unit_hartree 

Added hartree unit (addresses #2419)
parents e813e19f ad50ced2
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wrappers/python/simtk/unit/unit_definitions.py
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...@@ -237,6 +237,8 @@ joules = joule = Unit({joule_base_unit: 1.0}) ...@@ -237,6 +237,8 @@ joules = joule = Unit({joule_base_unit: 1.0})
define_prefixed_units(joule_base_unit, module = sys.modules[__name__]) define_prefixed_units(joule_base_unit, module = sys.modules[__name__])
erg_base_unit = ScaledUnit(1.0, dyne * centimeter, "erg", "erg") erg_base_unit = ScaledUnit(1.0, dyne * centimeter, "erg", "erg")
erg = ergs = Unit({erg_base_unit: 1.0}) erg = ergs = Unit({erg_base_unit: 1.0})
hartree_base_unit = ScaledUnit(4.3597447222071e-18, joule, "hartree", "Ha")
hartree = hartrees = Unit({hartree_base_unit: 1.0})
# In molecular simulations, "kilojoules" are in microscopic units # In molecular simulations, "kilojoules" are in microscopic units
# And you really only want to use kilojoules/mole. # And you really only want to use kilojoules/mole.
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