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mev->ev correction
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FNTwin committed Jun 21, 2024
1 parent 104c313 commit f8a8aab
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions openqdc/utils/units.py
Original file line number Diff line number Diff line change
Expand Up @@ -146,8 +146,8 @@ def get_conversion(in_unit: str, out_unit: str):
Conversion("ev", "kcal/mol", lambda x: x * 23.0605)
Conversion("ev", "hartree", lambda x: x * 0.0367493)
Conversion("ev", "kj/mol", lambda x: x * 96.4853)
Conversion("mev", "ev", lambda x: x * 1000.0)
Conversion("ev", "mev", lambda x: x * 0.0001)
Conversion("ev", "mev", lambda x: x * 1000.0)
Conversion("mev", "ev", lambda x: x * 0.0001)
Conversion("ev", "ryd", lambda x: x * 0.07349864)

# kcal/mol conversion
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