v0.2.7

What's Changed

• Fix a compatibility bug between FlashMD's energy calculators and ase.io.Trajectory

v0.2.6

What's Changed

• Added fine-tuning capabilities
• Released the pet-omatpes-v2 models

New Contributors

• @Copilot made their first contribution in #23

Full Changelog: v0.2.5...v0.2.6

v0.2.5

What's Changed

• This release adds support for LAMMPS

Full Changelog: v0.2.4...v0.2.5

v0.2.4

What's Changed

• Override ASE's Dynamics functions to save memory by @frostedoyster in #18

Full Changelog: v0.2.3...v0.2.4

v0.2.3

What's Changed

• Fix velocity removal bug in flashmd.ase.langevin by @frostedoyster in #16
• Add link to Materials Cloud repository by @frostedoyster in #17

Full Changelog: v0.2.2...v0.2.3

v0.2.2

What's Changed

• Keep rescale_energy=True as a default only for NVE integrators by @frostedoyster in #13
• Implement random rotation to ASE integrators by @SanggyuChong in #8
• Enforce physical constraints on new positions and momenta by @frostedoyster in #14
• Add option to fix the center of mass in flashmd.ase.langevin by @frostedoyster in #15

New Contributors

• @SanggyuChong made their first contribution in #8

Full Changelog: v0.2.1...v0.2.2

v0.2.1

What's Changed

• Use "conserved" i-PI quantity to enforce energy conservation by @frostedoyster in #12

Full Changelog: v0.2.0...v0.2.1

v0.2.0

What's Changed

• Update to standardized metatomic format and new r2SCAN models by @frostedoyster in #11

Full Changelog: v0.1.2...v0.2.0

v0.1.2

What's Changed

• Add ASE example by @frostedoyster in #9
• Convert to metatomic by @ceriottm in #10

Full Changelog: v0.1.1...v0.1.2

v0.1.1

Just a silly bug in the standard_vv implementation.