v2021.05

Author: amirhajibabaei

README.md

@@ -87,4 +87,9 @@ Currently no GPU acceleration is implemented.
 * <ins>Species</ins>:
 Presence of more atomic species makes the simulation slower.
 The computational cost is roughly proportional to $s^2$.
+
+
+
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+![UNIST](https://github.com/amirhajibabaei/AutoForce/tree/master/docs/sources/UNIST.jpg)
 <!-- #endregion -->

docs/sources/UNIST.jpg

@@ -5,9 +5,9 @@
 setup(
     name="theforce",
     version="v2021.05",
-    author="Amir HajiBabaei T.",
+    author="Amir Hajibabaei",
     author_email="a.hajibabaei.86@gmail.com",
-    description="machine learning of the potential energy surface from DFT",
+    description="machine learning of the ab initio potential energy surface",
     url="https://github.com",
     package_dir={'theforce': 'theforce'},
     packages=['theforce'],