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Do not override grad_output at the end of arguments parsing #85

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Sep 22, 2024
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Do not override grad_output at the end of arguments parsing #85

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2 changes: 1 addition & 1 deletion app/cli.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -389,7 +389,7 @@ subroutine get_run_arguments(config, list, start, error)
return
end if

if (config%grad.and. .not.config%json) then
if (config%grad.and. .not.config%json .and. .not.allocated(config%grad_output)) then
config%grad_output = "dftd3.txt"
end if

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