Releases: Mjolnir-MD/Mjolnir
Releases · Mjolnir-MD/Mjolnir
version 1.31.0
version 1.30.0
Added
- external/PullingForce to apply constant force to specific particles
- method that update
delta_t
to integrators
Changed
- reorganize 3SPN2 interaction and simplify input file
version 1.29.0
Added
- enable to restrain χ value in the multiple basin forcefield
version 1.28.1
Fixed
- Fix instability of the G-JF Integrator introduced in v1.28.0
version 1.28.0
1.28.0
Added
- add lambda-dynamics
- add dynamic_variables to System. They have virtual mass, velocity and force and are integrated over time.
Changed
- speedup by skipping virial calculation if virial is not needed
- enable EnergyCalculation to output pressure
version 1.27.0
1.27.0
Added
- Hybrid Forcefield
Changed
- refactoring: separate combination rule from global potentials
version 1.26.0
Added
- NPT Langevin
- except external forcefield
- Add an option to tabulate pair parameter (not using a combination rule) for WCA and L-J Attractive
Changed
- update toml11 to v3.7.0
Fixed
version 1.25.0
Added
- add LennardJonesAttractive to global potential
- output pressure if PBC is enabled
Fixed
- make warning message in EnergyCalculation mode informative
- consider the difference of sed command on BSD in CMakeLists
version 1.24.0
Changed
- update toml11 to v3.6.1
- update GitHub Actions setting
Fixed
- activate loggers in some tests (@yutakasi634 )
version 1.23.0
Added
- a short example input file to the document
Changed
- enable margin-related functions to return a bool value (@yutakasi634 )
- reduce log output while loading msgpack to simplify and shorten the log file