- fix issue with unicode on windows 1cde93ed57a3293455a40a1adc2b69881116b1dc
- 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
- Drop python 3.5 support as it is not compatible with networkx 2.4
- Fix for dict key change during iteration 0fe4b6fb3d785a0bfe9456363b37b8493b7ec9ab
- Replace time.clock deprecated function 6f9b050b624ba94fdfacff0a34551f89cfd2f708
- Add ASE to requirements 54714b1600e9d83b1f354a0b6cafac983653f61f
- Start using ASE to read CIF files b2a52c0cd1fc739d63fcfd17d65ae75cdf541f7d
- Optimize topology information calculation #27
- fix legacy networkx commands 1065ff310172fad1f2cfb79dda7ea737de2cdab1
- fix install from source #36
- fix Windows build #32
- make compatible with networkx 2.4 371d5d93110b349d51b5d7bfb7ef2bcc89752b7b
- exit on error if atoms overlap in min-img distance check 29086e5c6ed4e8cc013624875d7029f4ec9ae9db
First release on PyPI