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update versioneer
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fix #285
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orbeckst committed Oct 10, 2024
1 parent 346c351 commit 7247efd
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1 change: 1 addition & 0 deletions CHANGES
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Expand Up @@ -66,6 +66,7 @@ Fixes
to explicitly make a copy DataFrame of the data for angle padding (#242)
* fix rcoulomb in CHARMM energy minimization MDP template file (PR #210)
* fix ensemble.EnsembleAnalysis.check_groups_from_common_ensemble (#212)
* updated versioneer (#285)


2022-01-03 0.8.0
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3 changes: 3 additions & 0 deletions mdpow/__init__.py
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Expand Up @@ -52,3 +52,6 @@ def log_banner(logger):
N_AVOGADRO = 6.02214179e23
#: Boltzmann's constant |kB| in kJ mol^-1 (`kB NIST value`_).
kBOLTZ = 1.3806504e-23 * 1e-3 * N_AVOGADRO

from . import _version
__version__ = _version.get_versions()['version']
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