Merge pull request #74 from ltimmerman3/master

Velocity Patch
SPARC-X · Nov 19, 2024 · e868c12 · e868c12
2 parents e0c5493 + 08124b3
commit e868c12
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/sparc/sparc_parsers/aimd.py b/sparc/sparc_parsers/aimd.py
@@ -81,7 +81,7 @@ def _read_aimd_step(raw_aimd_text):
             value = raw_value.reshape((-1, 3)) * Bohr
         elif header_name == "V":
             name = "velocities"
-            value = raw_value.reshape((-1, 3)) * Bohr / AUT / (Angstrom / fs)
+            value = raw_value.reshape((-1, 3)) * Bohr / AUT
         elif header_name == "F":
             name = "forces"
             value = raw_value.reshape((-1, 3)) * Hartree / Bohr