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release 0.6.0 with CHANGES file
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orbeckst committed Jun 29, 2016
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38 changes: 38 additions & 0 deletions CHANGES
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=================
CHANGES for MDPOW
=================

Add summary of changes for each release. Use ISO dates. Reference
GitHub issues numbers and PR numbers.


2016-06-29 0.6.0
orbeckst, ianmkenney

Code and development are now public on GitHub https://github.com/Becksteinlab/MDPOW

* supported solvents: water, octanol, cyclohexane (new) (#11, #16)
* supported water models: TIP4P, and new: TIP3P, TIP5P, SPC, SPC/E (#38)
* FEP simulations are now done in NPT (Parrinello-Rahman barostat)
instead of NVT (#28)
* can run with Gromacs BAR and/or TI
* input file format was changed from ini to YAML (#1, #5, #6)
* additional configuration options in the runinput.yml file (#30, #38)



2011-09-06 0.5.1
orbeckst

Bug fixes and the mdpow-rebuild-simulation script to fix-up the state
files. For details see the git log commit messages.


2011-08-25 0.5.0
orbeckst, iorga

Fully working version with all scripts in place. Was used for the SAMPL3
challenge. For details see the git log commit messages.


For earlier releases see the commit messages.
2 changes: 1 addition & 1 deletion mdpow/version.py
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Expand Up @@ -35,7 +35,7 @@
VERSION = 0,6,0
#: Set to ``True`` for a release. If set to ``False`` then the patch level
#: will have the suffix "-dev".
RELEASE = False
RELEASE = True
if not RELEASE:
VERSION = VERSION[:2] + (str(VERSION[2]) + '-dev',)

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