v0.2.1

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

v0.2.0

Bug fixes

• 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

v0.1.3

Improvements

• Optimize topology information calculation #27

Bug fixes

• fix legacy networkx commands 1065ff310172fad1f2cfb79dda7ea737de2cdab1
• fix install from source #36
• fix Windows build #32

v0.1.2

Improvements

• make compatible with networkx 2.4 371d5d93110b349d51b5d7bfb7ef2bcc89752b7b

Bug fixes

• exit on error if atoms overlap in min-img distance check 29086e5c6ed4e8cc013624875d7029f4ec9ae9db

First release on PyPI

Merge pull request #21 from ltalirz/prepare-release

prepare release on PyPI