Bug fixes
- fix for accurate step reporting in min.csv file 11bd2e5c7b3a03a1b1f2b0387a4e76ad64b0f1ef
- The dihedral force constant was underestimated for UFF and UFF4MOF #44 e9349627e60481c98b3ac15da0e06183e06d2192
- Fix UFF4MOF bug where it can't find the correct metal ff type #46 2b53caab48ca3610cc05cd5cf444df6b2c79579c
- Adjust for undocumented factor of 2 in discovered in the LAMMPS source code leading to too large angle bending constants #47 cc12a4233f9657a69e9c64a26deca76e5bdd0b42