2 Commits

Author SHA1 Message Date
e1eb464e0a feat: Implement HarmonicBondInteraction and associated tests
- Introduce HarmonicBondInteraction for simulating harmonic bonds between particles
- Add methods for bond management and force computation
- Create comprehensive tests for HarmonicBondInteraction against OpenMM reference values
- Include a script to generate reference values for validation
2026-03-08 15:57:37 +09:00
401026ee3d feat: Enhance NonbondedInteraction with OpenMM reference tests
- Update COULOMB_CONSTANT for accuracy based on 2019 SI constants
- Add nalgebra as a development dependency
- Introduce comprehensive tests for NonbondedInteraction against OpenMM NonbondedForce
- Create reference values generation script for validation
2026-03-08 15:57:24 +09:00