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Fixed tests
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RaphaelRobidas committed Feb 16, 2023
1 parent 614a907 commit bef1111
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Showing 4 changed files with 683 additions and 231 deletions.
2 changes: 1 addition & 1 deletion frontend/tasks.py
Original file line number Diff line number Diff line change
Expand Up @@ -3246,7 +3246,7 @@ def analyse_opt(calc_id):
return

if calc.parameters.driver != "":
return funcs[calc.parameters.driver](calc)
return funcs[calc.parameters.driver.lower()](calc)
else:
return funcs[calc.parameters.software.lower()](calc)

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Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@

%chk=in.chk
%nproc=1
%nproc=4
%mem=2000MB
#p td M062X/Def2TZVP
#p opt M062X/Def2TZVP

File created by ccinput

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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
%chk=in.chk
%nproc=1
%nproc=4
%mem=2000MB
#p td M062X/Def2TZVP
#p opt M062X/Def2TZVP

File created by ccinput

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