Commits

Commits on Nov 27, 2024

CPU platform checkpoints random number generator (#4740 )
peastman
authored

Commits on Nov 26, 2024

Use Intel OpenCL for CI (#4366 )
peastman
authored

Commits on Nov 25, 2024

Serialization records integration force groups (#4734 )
peastman
authored

Commits on Nov 22, 2024

updateParametersInContext() can modify parameter offsets (#4732 )
peastman
authored

Commits on Nov 21, 2024

Cleanup of AMOEBA code (#4728 )
peastman
authored

Commits on Nov 20, 2024

Updates to AmoebaVdwForce, AmoebaGeneralizedKirkwoodForce and AmoebaWcaDispersionForce (#4647 )
mjschnie
authored

Commits on Nov 11, 2024

Reduced memory use while identifying molecule groups (#4713 )
peastman
authored

Commits on Nov 1, 2024

Prevent HipContext.h from including vkFFT.h (#4714 )
peastman
authored

Commits on Oct 31, 2024

Document installing with pip (#4708 )
peastman
authored

Commits on Oct 23, 2024

Allow adding a suffix to the version number (#4701 )
peastman
authored

Commits on Oct 9, 2024

Prevent linking to nvrtc-builtins (#4688 )
peastman
authored

Commits on Oct 4, 2024

updated units in energy minimisation user guide (#4683 )
WillGPoole
authored

Commits on Oct 2, 2024

Commits on Oct 1, 2024

Commits on Sep 27, 2024

Added documentation on HIP (#4672 )
peastman
authored

Commits on Sep 24, 2024

Update version number to 8.2 (#4669 )
peastman
authored

Commits on Sep 23, 2024

Optimize PME spread charge kernel (#4633 )
ex-rzr
authored

Commits on Sep 18, 2024

Changes for PyPI packaging (#4662 )
peastman
authored

Commits on Sep 13, 2024

XTCReporter overwrites existing xtc file (#4657 )
z-gong
authored

Commits on Sep 10, 2024

Commits on Sep 6, 2024

Optimize updateParametersInContext() (#4610 )
peastman
authored