Added some decimal places to the conversion factors to hopefully mini…

…mize disagreements
lcmd-epfl · Dec 5, 2024 · 22a8267 · 22a8267
1 parent fbdb87a
commit 22a8267
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/navicat_marc/molecule.py b/navicat_marc/molecule.py
@@ -10,7 +10,7 @@
 from navicat_marc.exceptions import InputError
 
 ha_to_kcalmol = 627.509474
-kcalmol_to_ha = 0.00159360
+kcalmol_to_ha = 0.00159360143
 
 symbol_to_number = {
     "Em": 0,  # empty site