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alchemistry / alchemtest Public

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add amber TI energy output files for testing#6

Merged

orbeckst merged 6 commits intoalchemistry:masteralchemistry/alchemtest:masterfrom shuail:mastershuail/alchemtest:masterCopy head branch name to clipboard

Nov 1, 2017

+315,974-1

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Oct 31, 2017

modify the MANIFEST.in to include the amber energy output files
shuail
committed
add amber TI output file for testing
shuail
committed
fix few typos
shuail
committed
remove debugging lines
shuail
committed

Commits on Nov 1, 2017

add license info in amber descr.rst file and clean up the empty line
shuail
committed
update the docs folder with amber dataset info
shuail
committed

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