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fixed the updating of pre_opt_settings for vdw calculation. That was a bug that made the test fail.
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atomate/vasp/fireworks/core.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -265,7 +265,9 @@ def __init__(
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# Disable vdW for the precondition step
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if vasp_input_set_params.get("vdw"):
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pre_opt_settings.update({"_unset": {"LUSE_VDW": True, "BPARAM": 15.7}})
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pre_opt_settings.update({"_unset": {"LUSE_VDW": True,
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"BPARAM": 15.7,
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"METAGGA": metagga_type}})
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t.append(ModifyIncar(incar_dictmod=pre_opt_settings))
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