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add px to O-*OR
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bjkreitz committed Dec 4, 2024
1 parent 9208da0 commit 14c4f69
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion input/thermo/groups/adsorptionPt111.py
Original file line number Diff line number Diff line change
Expand Up @@ -242,7 +242,7 @@
1 * X u0 p0 c0 {2,S}
2 O u0 p2 c0 {1,S} {3,S}
3 O u0 p2 c0 {2,S} {4,S}
4 R u0 p0 c0 {3,S}
4 R u0 px c0 {3,S}
""",
thermo=ThermoData(
Tdata=([300, 400, 500, 600, 800, 1000, 1500], 'K'),
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