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Update the CHANGELOG to prepare for the new version
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lorenzo-rovigatti committed Mar 12, 2024
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Showing 1 changed file with 19 additions and 1 deletion.
20 changes: 19 additions & 1 deletion CHANGELOG
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v. 3.6.0
v. 3.6.1
- 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- Add a method to Python's InputFile and update some outdated info [bd7c9e6]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]

v. 3.6.0 [aaebaeb]
- Add 6 more tests to the `run` level; these tests use the new topology and check that the DNA, RNA and NA interactions compute the right energies for a short nicked duplex
- Add support for a "new" topology format where nucleotides are listed in the 5' -> 3' order, which is the standard in the community
- Add the NA interaction, which can be used to simulate hybrid DNA/RNA systems (by @eryykr, see #68)
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