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Yusuf Hamied Department of Chemistry
Hunter Group
SSIPtools
SSIMPLEapps
phasecalculator
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1.0.5
247b845b
·
some file clean up.
·
Jul 02, 2022
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1.0.4.b
c601ecf5
·
update test.
·
Jul 02, 2022
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1.0.4.a
a8b7c8fd
·
update test.
·
Jul 02, 2022
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1.0.4
1667d71a
·
update to format with black.
·
Jul 02, 2022
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1.0.3
ffab71d9
·
add xfail to tests that require latex, so if they fail it is expected for conda build.
·
Oct 18, 2021
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1.0.2
4fda9ba9
·
update output to be uniform across all OSes.
·
Oct 18, 2021
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1.0.1
54d8b1f7
·
update function to be mocked during testing.
·
Oct 18, 2021
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1.0.0
29c4282c
·
add testfiles.
·
Oct 16, 2021
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1.0.0.a6
48904e27
·
update to phasexmlcreatorrunner to get the name inchikey map from the system.
·
Dec 22, 2020
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1.0.0.a5
b4e32fbb
·
update to add comments for useful logging level updates.
·
Apr 03, 2020
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1.0.0.a4
83910aea
·
update logging statements.
·
Mar 30, 2020
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1.0.0.a3
aee5b6d8
·
update for polarised SSIP descriptions.
·
Feb 26, 2020
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1.0.0.a2
ccabc915
·
formatting with black.
·
Feb 19, 2020
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1.0.0.a1
ca9472ed
·
doc and test clean up updates.
·
Feb 19, 2020
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