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Example base workflow for geometry optimisation: reduce the runtime (#…
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yakutovicha authored Dec 22, 2023
1 parent b9e3e7e commit 5a1a918
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2 changes: 1 addition & 1 deletion examples/workchains/example_base_geoopt_restart.py
Original file line number Diff line number Diff line change
Expand Up @@ -47,7 +47,7 @@ def example_base(cp2k_code):
{
"GLOBAL": {
"RUN_TYPE": "GEO_OPT",
"WALLTIME": "00:00:30", # too short
"WALLTIME": "00:00:20", # too short
},
"FORCE_EVAL": {
"METHOD": "Quickstep",
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