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arbd2/feat/pybind
dev-arbd2
ext_FT_rbtype
main
default
protected
rigidbody
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may24-beta
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Add vecangle bonded potentials
main
main
Enable force grids
Merge remote-tracking branch 'gitlab/main'
Ensure GPUManager.cpp compatible with cuda 12
Fix product potential bonds and angles
fix some bugs
arbd2/feat/pybind
arbd2/feat/pybind
implement callASync
callSync implement MPI and non-local GPU and make move robust
make extforce and torque link to rbtype
ext_FT_rbtype
ext_FT_rbtype
Revert "make extforce and torque link to rbtype"
make extforce and torque link to rbtype
make force and torque editable from restart
rigidbody
rigidbody
add righd
add righd
add rigid
Bindings to create numpy view of Array<Vector_t<T>> with obj.as_array()
Small changes to pybind code
Add a few bindings for Vector3_t<T>
Development on Proxy template class, with lots to clean up
Copy restart data when replicas are used
Fix cell size in dcd
Fix step counter integer overflow when printing rigid body trajectory file
Add Resource class
Use ::cuda::std:numeric_limits in device Vector3 code
Supress char* casting warnings
Improve exception handling and logging on device code
Ensure boolean template parameter is a constant expression
may24-beta
may24-beta
Fix build instructions in README.md
Update README.md
dev-arbd2
dev-arbd2
Add tests to repository
Update README
Add arbd.cpp, previously excluded by .gitignore
Checkpointing implementation of Random class
Checkpointing implementation of Random class; about to redesign away from virtual functions using templates
Started implementation of Random class
Fix issue with templated callSync function so that it can be used easily on functions taking rvalue arguments
Checkpoint
Add support for logger
Add documentation
Checkpoint... implementing proxy and patch infrastructure
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