v2.0.2
New features:
- support the plugin for GROMACS (#1160 #1169 )
- support the
init-frz-modeloption forse_randse_t(#1144) - support data in hdf5 format (#1163)
- automatic batch size for the inference of DP (#1165 #1154 #1173 )
- Allow to scale LR in parallel training in different ways. (#1167)
Enhancement for developers:
Bug fixings:
- explicitly set lammps' neighbor request to full to fix bug #1109
- Add init-frz-model command support to the frozen model generated by this command (#1137)
- Add error message for repeated model compression (#1136)
- doc related improvements and bug fixings (#1141 #1131 #1147 #1156 #1153 #1171 )
- Fix freezing error on checkpoint from parallel training. (#1166)