Unverified Commit d6cca390 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Added eV as an energy unit (#4074)

parent b4c54303
...@@ -7,7 +7,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of ...@@ -7,7 +7,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of
Biological Structures at Stanford, funded under the NIH Roadmap for Biological Structures at Stanford, funded under the NIH Roadmap for
Medical Research, grant U54 GM072970. See https://simtk.org. Medical Research, grant U54 GM072970. See https://simtk.org.
Portions copyright (c) 2012-2020 Stanford University and the Authors. Portions copyright (c) 2012-2023 Stanford University and the Authors.
Authors: Christopher M. Bruns Authors: Christopher M. Bruns
Contributors: Peter Eastman Contributors: Peter Eastman
...@@ -241,6 +241,8 @@ erg_base_unit = ScaledUnit(1.0, dyne * centimeter, "erg", "erg") ...@@ -241,6 +241,8 @@ 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_base_unit = ScaledUnit(4.3597447222071e-18, joule, "hartree", "Ha")
hartree = hartrees = Unit({hartree_base_unit: 1.0}) hartree = hartrees = Unit({hartree_base_unit: 1.0})
ev_base_unit = ScaledUnit(1.602176634e-19, joule, "electron volt", "eV")
ev = Unit({ev_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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