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Analyzed almost 1 year ago. based on code collected over 4 years ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Aug 25, 2020 — Sep 24, 2020 Showing page 11 of 97 Search / Filter on:
Cleaned up the grammar to remove the multi-line Expressions (it is now a single-line only, and kept in if I need to add some extra layers above).	Christopher Woods	More...				about 2 years ago
Pin to version 21 of packaging. [ci skip]	Lester Hedges	More...				about 2 years ago
Pin to version 21 of packaging.	Lester Hedges	More...				about 2 years ago
black the two files to make diff more clear. (#42)	Zhiyi Wu	More...				about 2 years ago
Comment out debugging calls to computeOpenMMEnergy.	Lester Hedges	More...				about 2 years ago
Fix missing string termination character.	Lester Hedges	More...				about 2 years ago
Remove redundant import statement.	Lester Hedges	More...				about 2 years ago
Revert "Revert "Support for PME in SOMD FEP""	Lester Hedges	More...				about 2 years ago
Updated the search syntax to support 'views with charge', 'views with mass' and 'views with property'.	Christopher Woods	More...				about 2 years ago
I've fixed and tested the logic of in/with searches. I've added in documentation about count searches (searches that match based on counting). I've fixed the grammar for combinations of with/in and logical searches. I've added a test that contains searches that were broken, but which are now fixed. I will use this test as I continue to discover broken edge case searches.	Christopher Woods	More...				about 2 years ago
Now build docs against py38 Linux build. [ci skip]	Lester Hedges	More...				about 2 years ago
Updated the engine to use strings for element tokens. This allows me to use "biological" elements.	Christopher Woods	More...				about 2 years ago
I've cleared up what I mean by "with" and "in" for the search syntax and written this down in the cheat sheet.	Christopher Woods	More...				about 2 years ago
Fix docstrings. [ci skip]	Lester Hedges	More...				about 2 years ago
Make sure docstrings are handled correctly. [ci skip]	Lester Hedges	More...				about 2 years ago
Added more tests of mapped searches (all passed!)	Christopher Woods	More...				about 2 years ago
Default to LangevinMiddleIntegrator.	Lester Hedges	More...				about 2 years ago
Fix behaviour of OpenMM minimisation protocol.	Lester Hedges	More...				about 2 years ago
Deprecate Python 3.7. [ci skip]	Lester Hedges	More...				about 2 years ago
Deprecate Python 3.7. [closes #417]	Lester Hedges	More...				about 2 years ago
Added full 'map' support to searches. This should make integration with BioSimSpace easier, as now it can directly use the searches and can pass in the maps too :-)	Christopher Woods	More...				about 2 years ago
Adding more to the search cheat sheet. Found that the with/in searches are a little buggy and inconsistent at the moment. They need cleaning up!	Christopher Woods	More...				about 2 years ago
Finished the move tutorial. Updated the measure function so that it takes account of space (so does periodic space measurements correctly). Added a test for this.	Christopher Woods	More...				about 2 years ago
Merge pull request #416 from fjclark/bugfix_mdr	Lester Hedges	More...				about 2 years ago
Conditionally use GIT_DESCRIBE variables. [ci skip]	Lester Hedges	More...				about 2 years ago
Conditionally use GIT_DESCRIBE variables.	Lester Hedges	More...				about 2 years ago
Correct expression for distance restraint energy	finlayclark	More...				about 2 years ago
Merge branch 'feature-boresch' into devel	Lester Hedges	More...				about 2 years ago
Skip SOMD test on Windows.	Lester Hedges	More...				about 2 years ago
Boresch restraints for Absolute Binding Free energy Calculations. [closes #392] [ci skip]	Lester Hedges	More...				about 2 years ago

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