prepare release v0.2.1 (#48)

peteboyd · May 8, 2021 · 0d7b397 · 0d7b397
1 parent cc12a42
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,3 +1,11 @@
+## v0.2.1
+
+### Bug fixes
+ * fix for accurate step reporting in min.csv file [11bd2e5c7b3a03a1b1f2b0387a4e76ad64b0f1ef](https://github.com/peteboyd/lammps_interface/commit/11bd2e5c7b3a03a1b1f2b0387a4e76ad64b0f1ef)
+ * The dihedral force constant was underestimated for UFF and UFF4MOF #44 [e9349627e60481c98b3ac15da0e06183e06d2192](https://github.com/peteboyd/lammps_interface/commit/e9349627e60481c98b3ac15da0e06183e06d2192)
+ * Fix UFF4MOF bug where it can't find the correct metal ff type #46 [2b53caab48ca3610cc05cd5cf444df6b2c79579c](https://github.com/peteboyd/lammps_interface/commit/2b53caab48ca3610cc05cd5cf444df6b2c79579c)
+ * Adjust for undocumented factor of 2 in discovered in the LAMMPS source code leading to too large angle bending constants #47 [cc12a4233f9657a69e9c64a26deca76e5bdd0b42](https://github.com/peteboyd/lammps_interface/commit/cc12a4233f9657a69e9c64a26deca76e5bdd0b42)
+
 ## v0.2.0
 
 ### Bug fixes
@@ -23,11 +31,11 @@
 
 ### Improvements
 
- * make compatible with networkx 2.4 371d5d93110b349d51b5d7bfb7ef2bcc89752b7b
+ * make compatible with networkx 2.4 [371d5d93110b349d51b5d7bfb7ef2bcc89752b7b](https://github.com/peteboyd/lammps_interface/commit/371d5d93110b349d51b5d7bfb7ef2bcc89752b7b)
 
 ### Bug fixes
 
- * exit on error if atoms overlap in min-img distance check 29086e5c6ed4e8cc013624875d7029f4ec9ae9db
+ * exit on error if atoms overlap in min-img distance check [29086e5c6ed4e8cc013624875d7029f4ec9ae9db](https://github.com/peteboyd/lammps_interface/commit/371d5d93110b349d51b5d7bfb7ef2bcc89752b7b)
 
 ## v0.1.1
 

diff --git a/lammps_interface/__init__.py b/lammps_interface/__init__.py
@@ -1,4 +1,4 @@
 """
 Lammps interface.
 """
-__version__ = "0.2.0"
+__version__ = "0.2.1"
diff --git a/setup.py b/setup.py
@@ -17,7 +17,7 @@
         "Programming Language :: Python :: 3.7",
         "Programming Language :: Python :: 3.8",
     ],
-    version="0.2.0",
+    version="0.2.1",
     license="MIT",
     url="https://github.com/peteboyd/lammps_interface",
     description="Automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs",