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Commits : Listings

Analyzed 12 months ago. based on code collected 12 months ago.
Jan 16, 2023 — Jan 16, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Make TestCudaATMForce an actual test by renaming to .cpp (#4267) More... about 1 year ago
Note that w_cross has units of inverse distance (#4263) More... about 1 year ago
Added chapter on add-on packages to manual (#4255) More... over 1 year ago
Updated version number to 8.1 (#4250) More... over 1 year ago
Remove support for Gromacs implicit solvent (#4246) More... over 1 year ago
Fixed error in accumulating parameter derivatives (#4249) More... over 1 year ago
Replace distutils with setuptools (#4245) More... over 1 year ago
Report status during minimization (#4207) More... over 1 year ago
CustomCPPForceImpl for writing forces in C++ (#4231) More... over 1 year ago
Don't add extra bond between water hydrogens (#4219) More... over 1 year ago
Allow negative surface tension (#4223) More... over 1 year ago
Added residueTemplates argument to more methods (#4211) More... over 1 year ago
Remove std::binary_function from ConstraintOrderer functor (#4217) More... over 1 year ago
Flush queue less frequently (#4177) More... over 1 year ago
Update IntegrationUtilities.cpp to include <functional> (#4214) More... over 1 year ago
Remove amber20-factorix (#4208) More... over 1 year ago
Fixed bug in CustomIntegrator detecting changes to context parameters (#4206) More... over 1 year ago
Add link to cookbook and tutorials in docs sidepane (#4075) More... over 1 year ago
Avoid deprecation warnings in vkFFT (#4192) More... over 1 year ago
Amoeba and ATM Force minor cleanup (#4195) More... over 1 year ago
Optimized Context creation with complex CustomIntegrators (#4191) More... over 1 year ago
Fix CI failure (#4190) More... over 1 year ago
GromacsTopFile supports [ settles ] directive (#4188) More... over 1 year ago
Fixed memory error in AMOEBA PME (#4181) More... over 1 year ago
Support GROMACS files that use GROMOS force fields (#4028) More... over 1 year ago
Update README.md (#4170) More... over 1 year ago
Fix "off by one" error in xtc time reporting. (#4168) More... over 1 year ago
Draft integration of the Alchemical Transfer Method (ATM) plugin (#4110) More... over 1 year ago
writeFile() accepts a filename instead of a file object (#4162) More... over 1 year ago
Fix for patches that affect only bonds, not atoms (#4161) More... over 1 year ago