diff --git a/sparc/sparc_parsers/aimd.py b/sparc/sparc_parsers/aimd.py index 5f1e2f7e..27f0f496 100644 --- 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