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Fix to stop convergence checks for interactive jobs! #222

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merged 6 commits into from
Jun 7, 2021
Merged

Fix to stop convergence checks for interactive jobs! #222

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d0e6def
Fix to stop convergence checks for interactive jobs!
sudarsan-surendralal Jun 1, 2021
f48baf7
Merge remote-tracking branch 'origin/master' into vasp_int_conv_check
sudarsan-surendralal Jun 7, 2021
b869fcf
Update pyiron_atomistics/vasp/interactive.py
sudarsan-surendralal Jun 7, 2021
df229b6
Merge branch 'vasp_int_conv_check' of https://github.com/pyiron/pyiro…
sudarsan-surendralal Jun 7, 2021
953564b
Perform check if not interactive
sudarsan-surendralal Jun 7, 2021
68bc3ad
codeacy nit
sudarsan-surendralal Jun 7, 2021
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13 changes: 13 additions & 0 deletions pyiron_atomistics/vasp/interactive.py
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Original file line number Diff line number Diff line change
Expand Up @@ -296,6 +296,19 @@ def _run_if_new(self, debug=False):
self._check_incar_parameter(parameter="ISYM", value=0)
super(VaspInteractive, self)._run_if_new(debug=debug)

def convergence_check(self):
"""
We don't care about convergence for interactive jobs! Always returns True

Returns:
bool: Always True

"""
if self.server.run_mode.interactive:
return True
else:
return super().convergence_check()


class Output(OutputBase):
"""
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