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Commits : Listings

Analyzed about 1 year ago. based on code collected over 4 years ago.
Sep 24, 2019 — Sep 24, 2020
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Updating website.
BioSimSpaceBot
More... about 2 years ago
Use relative path and new OpenMM API.
Lester Hedges
More... about 2 years ago
Updating website.
BioSimSpaceBot
More... about 2 years ago
Merge pull request #406 from michellab/fix-dummy-hmr
Lester Hedges
More... about 2 years ago
Merge pull request #420 from fjclark/devel
Julien Michel
More... about 2 years ago
Fix Boresch analytical correction to correctly account for definition of force constants as kx^2 as opposed to 0.5kx^2
finlayclark
More... about 2 years ago
More website updates. Moved files that were in the top-level directory into the website, so that we have a single source of truth.
Christopher Woods
More... about 2 years ago
Confirmed that Sire must be licensed under the GPL3 or later (due to having dependencies that are now GPL3, and us using GPL2 or later in the source code). I've updated the license file accordingly.
Christopher Woods
More... about 2 years ago
The API documentation is looking a lot better now. There's a lot to fill in, but at least it is now exposed.
Christopher Woods
More... about 2 years ago
Working on documenting the API - laid out the main files. Next need to add `__all__` to the modules so we define the public API
Christopher Woods
More... about 2 years ago
Working on the API docs. Fixed a circular import issue.
Christopher Woods
More... about 2 years ago
Added code to auto-install pip-requirements-parser and the compilers.
Christopher Woods
More... about 2 years ago
A few more packages cause issues on Linux/ARM64
Christopher Woods
More... about 2 years ago
Updating the requirements so that we can build packages on Linux/ARM64
Christopher Woods
More... about 2 years ago
Worked out how to document sire.mol - need to disable lazy imports
Christopher Woods
More... about 2 years ago
Making progress documenting the api
Christopher Woods
More... about 2 years ago
Restarting the api docs
Christopher Woods
More... about 2 years ago
Working on the quick start, plus added in the version change box.
Christopher Woods
More... about 2 years ago
Written the installation instructions
Christopher Woods
More... about 2 years ago
Added in some info about ProtoMS and its relationship to Sire
Christopher Woods
More... about 2 years ago
Added older sire history to the changelog
Christopher Woods
More... about 2 years ago
Updated the colours - just tweaking :-)
Christopher Woods
More... about 2 years ago
Added the Sire logo to the OpenBioSim logo
Christopher Woods
More... about 2 years ago
Updated the style of the website so that it better matches openbiosim.org
Christopher Woods
More... about 2 years ago
Added the Qt 5.14 check back as the MacOS CI/CD *this time* (not last time) resolved to an older Qt (5.12).
Christopher Woods
More... about 2 years ago
Removing unnecessary files (making good progress reducing the git repo size - removing these files as part of the 2023.X merge will help)
Christopher Woods
More... about 2 years ago
Removed failed artefact support from the CI/CD and reverted back to using the default mambabuild croot. This is needed as setting the croot to the github action build directory causes it to consume a precious resource (14 GB dir, D: drive on windows), when it should be using the unprecious system drive where mamba is installed (C: drive on windows).
Christopher Woods
More... about 2 years ago
Reduced precision of the LJ energy as this tripped up the MacOS X86 test, which could only match the value to 1e-4.
Christopher Woods
More... about 2 years ago
Fixes to enable compilation on windows, plus reduced precision of energy test to allow macos CI to pass.
Christopher Woods
More... about 2 years ago
Too many .value()s ...
Christopher Woods
More... about 2 years ago