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Yusuf Hamied Department of Chemistry
Hunter Group
SSIPtools
SSIMPLEapps
phasecalculator
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d5c1fefacac67d1a2bf7b64004fb8892d44187b5
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2
master
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protected
mcs92-master-patch-22131
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14
1.0.5
1.0.4.b
1.0.4.a
1.0.4
1.0.3
1.0.2
1.0.1
1.0.0
1.0.0.a6
1.0.0.a5
1.0.0.a4
1.0.0.a3
1.0.0.a2
1.0.0.a1
16 results
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Created with Raphaël 2.2.0
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Update README.md
mcs92-master-pa…
mcs92-master-patch-22131
some file clean up.
1.0.5 master
1.0.5 master
update test.
1.0.4.b
1.0.4.b
update test.
1.0.4.a
1.0.4.a
update to format with black.
1.0.4
1.0.4
add xfail to tests that require latex, so if they fail it is expected for conda build.
1.0.3
1.0.3
update output to be uniform across all OSes.
1.0.2
1.0.2
update function to be mocked during testing.
1.0.1
1.0.1
add testfiles.
1.0.0
1.0.0
update package requirements.
update to output greater diff to be able to determine CI issue.
update to use conda deployed versions.
fix typo.
update package clone commands.
update docker image.
update CI version.
update CI.
update CI.
update CI.
update tests and environment.
update to phasexmlcreatorrunner to get the name inchikey map from the system.
1.0.0.a6
1.0.0.a6
update to Phase, Phases and System to get name inchikey mapping.
Merge branch 'master' of gitlab.developers.cam.ac.uk:ch/hunter/ssiptools/ssimpleapps/phasecalculator
update logging levels.
update due to changes to phasexmlcreator increasing number of dp in molefractions.
Minor typo fix
update CLI to allow option of polarised or unpolarised solvent descriptions.
update output location.
update to add boolean in methods to determine which SSIP description to use.
typo.
update gitlab CI to make sure changes are pulled.
update from phasexmlcreator increase to number of dp in component molefraction in solvent names.
increase temperature output dp to 3 for calculator XML.
update CI.
update clone of phasexmlparser.
update clone of phasexmlparser.
update to clone of solvent map creator.
update to clone of solvent map creator.
update readme environment set up.
update to fix bugs in VLE output bool reading and create output dir for VLE runner.
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