model can now be run on gpu + refactoring

wolearyc · Sep 15, 2024 · 4c8d414 · 4c8d414
1 parent c30d67b
commit 4c8d414
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Showing 4 changed files with 303 additions and 136 deletions.
diff --git a/cspell.json b/cspell.json
@@ -15,8 +15,8 @@
         "automodule",
         "AVOGADROS",
         "Daltons",
-        "dimenet",
         "defusedxml",
+        "dimenet",
         "docstrings",
         "dtype",
         "dynmat",
@@ -36,6 +36,7 @@
         "initialpos",
         "interp",
         "keepdim",
+        "layernorm",
         "LBYL",
         "lexsort",
         "linalg",
@@ -65,10 +66,10 @@
         "ramannoodle",
         "randn",
         "repr",
-        "schnet",
-        "Softplus",
         "rint",
         "savez",
+        "schnet",
+        "Softplus",
         "spglib",
         "symprec",
         "tablefmt",