Mstk

Latest version: v0.3.19

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0.3.19

- [rework hydrogen atom relocation](https://github.com/z-gong/mstk/commit/236f6ec5df2cc50f745f6a267c570c4b525a6ac7)

0.3.18

- Deprecate ZFP format for force field storage
- Several renames in force field module for clarity
- Rename qinc and q_inc to bci (abbr for bond charge increment)
- Rename MorseTerm to MorseVdwTerm
- Rename PolarizableTerm to PloarTerm
- Rename DrudeTerm to DrudePolarTerm
- Rename ZftTyper to SmartsTyper

0.3.16

- [refactor Scheduler. Put all job parameters into a dataclass](https://github.com/z-gong/mstk/commit/1333fb2018b904bebb2d06a7cefc1ddc74f824e2)
- [check positions when write GRO file](https://github.com/z-gong/mstk/commit/6a9c1039bd6004a702deca8d20aec005a1fb17cf)
- [rework splitting molecules based on bonds](https://github.com/z-gong/mstk/commit/92bcb6a3d97ef3984d58106415a87f80463f5712)
- [read and write format charge in PDB file](https://github.com/z-gong/mstk/commit/9673bd7d1ee0f92423d7bc9399a2d3abb7f67356)
- [replace PeriodicDihedralTerm in GAFF with OplsDihedralTerm](https://github.com/z-gong/mstk/commit/b12bec505995dd178d615926a508242b499b7737)

0.3.15

- [GaffTyper uses type definition from gaff.zft by default](https://github.com/z-gong/mstk/commit/136326fe4a37f7da99219e8c727215b06141d616)
- [Fix liner angle for LammpsExporter](https://github.com/z-gong/mstk/commit/9a251623ecffc4000ce9fb95b4628bba42e5e1fa)
- [Support FF terms: MorseTerm, QuarticBondTerm, QuarticAngleTerm, HarmonicCosineAngleTerm](https://github.com/z-gong/mstk/commit/6750a5aa661bc342fad14ea18547d736164cc8b7)

0.3.14

- [replace size property in UnitCell with get_size function](https://github.com/z-gong/mstk/commit/b134d1c5691f7d530986e71537c4d36232f3c8df)
- [add vectorized function periodic_distances](https://github.com/z-gong/mstk/commit/db4f5e77fd79a7b1c86b2f7c730231aadb8ab2c0)
- [rework analyze-rdf.py](https://github.com/z-gong/mstk/commit/d8b87c1f340791660cb67879c20e7ab487c0d8c8)

0.3.13

- [refactor scheduler](https://github.com/z-gong/mstk/commit/a9336220c95a3002a825b0c8dcfb6465a1f8e8ff)
- [scripts use optional arguments](https://github.com/z-gong/mstk/commit/c08ecf46186cf899f3bbd39cbdb817cb92657d45)

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