Fixing velocity conversion

SPARC-X · Nov 18, 2024 · 050534e · 050534e
1 parent 4ed83af
commit 050534e
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