* There was a problem with getting the final coordinates from a dump file. * Added saving and reusing velocities so now a second LAMMPS step will by default use the velocities from the previous step, which is what you would expect.
2023.8.31
2023.8.27 -- Added support for tabulated angle potentials. * Support for the CL&P-OPLSAA potential for octahedral PF6-
2023.8.21
* The size of the x-axes of the trajectory graphs were wrong, often much too large, compressing the actual data near the beginning of the graph. * Fixed an issue with systems with no non-bonds.
2023.6.17
* Avoided using centroid/stress/atom for heat flux in standard NVE, NVT, ... dynamics with Class 2 forcefield. * Added option to not use centroid/stress/atom for any forcefield.
2023.6.16
* centroid/stress/atom does not work with Class 2 forcefields, so don't use for PCFF.