diff --git a/README.md b/README.md index 027d021..c33c717 100644 --- a/README.md +++ b/README.md @@ -237,7 +237,7 @@ Similarly, a web-app for [ALIGNN-FF](https://jarvis.nist.gov/jalignnff/) for str ALIGNN-FF ASE Calculaor ------------------------- - +![ALIGNN FF](https://github.com/usnistgov/alignn/blob/develop/alignn/tex/animation.gif) [ASE calculator](https://wiki.fysik.dtu.dk/ase/ase/calculators/calculators.html) provides interface to various codes. An example for ALIGNN-FF is give below. Note that there are multiple pretrained ALIGNN-FF models available, here we use the deafult_path model. As more accurate models are developed, they will be made available as well: diff --git a/alignn/__init__.py b/alignn/__init__.py index bf293b6..5224178 100644 --- a/alignn/__init__.py +++ b/alignn/__init__.py @@ -1,3 +1,3 @@ """Version number.""" -__version__ = "2024.10.30" +__version__ = "2024.12.02" diff --git a/alignn/tex/animation.gif b/alignn/tex/animation.gif new file mode 100644 index 0000000..1e3a452 Binary files /dev/null and b/alignn/tex/animation.gif differ diff --git a/setup.py b/setup.py index 206bad8..c01e90e 100644 --- a/setup.py +++ b/setup.py @@ -10,7 +10,7 @@ setuptools.setup( name="alignn", - version="2024.10.30", + version="2024.12.02", author="Kamal Choudhary, Brian DeCost", author_email="kamal.choudhary@nist.gov", description="alignn",