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skip consistency check when searching for vdW in sample extraction
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mjohnson541 committed Jan 9, 2025
1 parent c1f9612 commit 270f12e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pynta/coveragedependence.py
Original file line number Diff line number Diff line change
Expand Up @@ -1892,7 +1892,7 @@ def extract_sample(d,ad_energy_dict,slab,metal,facet,sites,site_adjacency,pynta_
try:
with open(os.path.join(d,"info.json"),'r') as f:
info = json.load(f)
mol = Molecule().from_adjacency_list(info["adjlist"])
mol = Molecule().from_adjacency_list(info["adjlist"],check_consistency=False)
for bd in mol.get_all_edges():
if bd.order == 0:
if bd.atom1.is_surface_site() or bd.atom2.is_surface_site():
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