·
18 commits
to master
since this release
This is mostly a bugfixing release.
- Fix some bugs and docs errors due to the DRH -> NA change (see #81) [79728d3 and 7cf4b94]
- Add and document an option to control the DH cut-off (see #83) [95a9f0d]
- Make the MPI VMMC backend runnable once again, after it had been broken for years (see #85) [8becd5f]
- Fix how the trap, twist and string forces behave on CUDA (see #71) [e92695c]
- Fix the oat test's suite (see #89) [ffd1dd9]
- Add an observable that can be used to print the total external force acting on particles [7f0eff6]
- Fix a bug whereby the DPS interaction would segfault of dying gracefully when too many patches were used [b38ae1c]
oxpy
- Add a method to Python's InputFile and update some outdated info [bd7c9e6]
oat
- Added RMSD calculation to superimpose [99320e0]
- Added output file naming option to superimpose [3d316b6]
- Clarified argparse strings for distance and subset [eae41a9]
- Fixed missing newline bug in write_conf [0e5c28d]
- Fixed bad error in get_confs [171f2ca]
- Overhaul of clustering to have significantly more options and cleaner output [80920ab]