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Yusuf Hamied Department of Chemistry
Hunter Group
SSIPtools
SSIMPLEapps
solventmapcreator
Commits
fcea2c82
Commit
fcea2c82
authored
7 years ago
by
M.D. Driver
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added methods for writing to file after extracting the required values, and updated tests.
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solventmapcreator/io/solvationenergyextraction.py
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solventmapcreator/io/solvationenergyextraction.py
solventmapcreator/test/iotest/solvationenergyextractiontest.py
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47 additions, 8 deletions
...ntmapcreator/test/iotest/solvationenergyextractiontest.py
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