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Merge pull request #756 from choderalab/Cut0.17.0
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Cut release 0.17.0
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Lnaden authored Aug 21, 2017
2 parents e3b8f53 + c7e8a8d commit 9386153
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8 changes: 4 additions & 4 deletions docs/whatsnew.rst
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Expand Up @@ -6,8 +6,10 @@ This section features and improvements of note in each release.

The full release history can be viewed `at the github yank releases page <https://github.com/choderalab/yank/releases>`_.

0.17.0 Current Development (In flux)
------------------------------------
0.17.0 Auto Alchemical Path and Split Langevin Integrators
----------------------------------------------------------
- Added Langevin Splitting Integrator which allows time-substep operation order
- Automatic Alchemical Path selection feature added.
- Many Website additions and cleanups
- Online analysis allowing simulations to be run until they reach a target free energy uncertainty
- Renamed and refactored ``YAMLBuilder`` to more general ``ExperimentBuilder``
Expand All @@ -21,8 +23,6 @@ The full release history can be viewed `at the github yank releases page <https:
- Added MDTraj, Matplotlib, and Jupyter as requirements
- Analyze Jupyter Notebooks can now be exported as pre-rendered static HTML or PDF pages (LaTeX required for PDF)
- Refactor some API function names and keywords
- Added Langevin Splitting Integrator which allows time-substep operation order
- Automatic Alchemical Path selection feature added.

0.16.2 Startup Speed and Reduced File Sizes
-------------------------------------------
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4 changes: 2 additions & 2 deletions setup.py
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Expand Up @@ -16,8 +16,8 @@

########################
VERSION = "0.17.0" # Primary base version of the build
DEVBUILD = "0" # Dev build status, Either None or Integer as string
ISRELEASED = False # Are we releasing this as a full cut?
DEVBUILD = None # Dev build status, Either None or Integer as string
ISRELEASED = True # Are we releasing this as a full cut?
__version__ = VERSION
########################
CLASSIFIERS = """\
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