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Merged
carlocamilloni merged 1 commit into from
Apr 16, 2026
Merged

black #679

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3 changes: 1 addition & 2 deletions tools/make_mat/make_mat.py
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Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,7 @@
from multiego import fileio as io

_DEFAULT_C12 = {
atom_name: rc_c12
for atom_name, rc_c12 in zip(type_definitions.gromos_atp.name, type_definitions.gromos_atp.rc_c12)
atom_name: rc_c12 for atom_name, rc_c12 in zip(type_definitions.gromos_atp.name, type_definitions.gromos_atp.rc_c12)
}

COLUMNS = ["mi", "ai", "mj", "aj", "c12dist", "p", "cutoff"]
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