Run black formatter on m3gnet

SCM-NV · Mar 4, 2025 · 5671c98 · 5671c98
1 parent 3b2db28
commit 5671c98
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Showing 3 changed files with 6 additions and 7 deletions.
diff --git a/doc/source/examples/M3GNet/M3GNet.ipynb.rst b/doc/source/examples/M3GNet/M3GNet.ipynb.rst
@@ -4,7 +4,7 @@ Worked Example
 Requirements
 ~~~~~~~~~~~~
 
-The package m3net can be installed with the `package manager <../../../Installation/Optional_Components.html>`__.
+The package m3net can be installed with ``amspackages``
 
 Purpose
 ~~~~~~~
@@ -17,6 +17,7 @@ Initialization
 .. code:: ipython3
 
    from scm.plams import *
+
    # this line is not required in AMS2025+
    init()
 

diff --git a/examples/M3GNet/M3GNet.ipynb b/examples/M3GNet/M3GNet.ipynb
@@ -36,6 +36,7 @@
    "outputs": [],
    "source": [
     "from scm.plams import *\n",
+    "\n",
     "# this line is not required in AMS2025+\n",
     "init()"
    ]

diff --git a/examples/M3GNet/M3GNet.py b/examples/M3GNet/M3GNet.py
@@ -2,16 +2,17 @@
 # coding: utf-8
 
 # ## Requirements
-# 
+#
 # The package m3net can be installed with `amspackages`
 
 # ## Purpose
-# 
+#
 # Use the M3GNet ML potential with AMS.
 
 # ## Initialization
 
 from scm.plams import *
+
 # this line is not required in AMS2025+
 init()
 
@@ -45,7 +46,3 @@
 
 energy = job.results.get_energy(unit="eV")
 print(f"M3GNet: final energy {energy:.3f} eV")
-
-
-
-