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Merge pull request #28 from jchodera/add-sobol
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Added Sobol subrandom sampling approach to initialize particle positions
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jchodera committed Jan 13, 2015
2 parents 03dd992 + a4e73be commit 55c090e
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Showing 5 changed files with 817 additions and 71 deletions.
7 changes: 4 additions & 3 deletions devtools/ci/after_sucess.sh
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Expand Up @@ -10,9 +10,10 @@ if [[ "$TRAVIS_BRANCH" != "master" ]]; then
fi


if [[ "2.7 3.3" =~ "$python" ]]; then
conda install --yes binstar
binstar -t $BINSTAR_TOKEN upload --force -u omnia -p openmmtools $HOME/miniconda/conda-bld/linux-64/${PACKAGENAME}-*
if [[ "2.7 3.3 3.4" =~ "$python" ]]; then
conda install --yes --quiet binstar
BINSTAR_VERSION=`git describe 2> /dev/null || git rev-parse --short HEAD` # From http://wygoda.net/blog/getting-useful-git-revision-information/
binstar -t $BINSTAR_TOKEN upload -v $BINSTAR_VERSION -u omnia -p openmmtools-dev $HOME/miniconda/conda-bld/linux-64/${PACKAGENAME}-*
fi

if [[ "$python" != "2.7" ]]; then
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21 changes: 21 additions & 0 deletions openmmtools/mit_license.txt
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@@ -0,0 +1,21 @@
The MIT License (MIT)

Copyright (c) 2014 John Burkardt

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in
all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
THE SOFTWARE.
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