Skip to content

Commit b3232f4

Browse files
committed
fix use lammps
1 parent 4ee7d8a commit b3232f4

File tree

1 file changed

+2
-2
lines changed

1 file changed

+2
-2
lines changed

calphy/alchemy.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -327,7 +327,7 @@ def run_integration(self, iteration=1):
327327

328328
for idx, (type1, type2) in enumerate(swap_combos):
329329
swap_str = f"{type1} {type2}"
330-
if self.calc.use_custom_lammps:
330+
if self.calc.monte_carlo.use_custom_lammps:
331331
lmp.command(
332332
"fix swap%d all atom/swap %d %d %d %f ke no types %s noforce yes localE yes"
333333
% (
@@ -446,7 +446,7 @@ def run_integration(self, iteration=1):
446446

447447
for idx, (type1, type2) in enumerate(swap_combos):
448448
swap_str = f"{type1} {type2}"
449-
if self.calc.use_custom_lammps:
449+
if self.calc.monte_carlo.use_custom_lammps:
450450
lmp.command(
451451
"fix swap%d all atom/swap %d %d %d %f ke no types %s noforce yes localE yes"
452452
% (

0 commit comments

Comments
 (0)