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modified relaxation ctest parameter files.
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dsambit committed Sep 4, 2019
1 parent 6742b4e commit e39f4b8
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Showing 4 changed files with 7 additions and 7 deletions.
4 changes: 2 additions & 2 deletions tests/dft/pseudopotential/complex/nitrogenMolecule_02.prm.in
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ subsection Geometry
set ION OPT=true
set FORCE TOL=4e-2
set ION RELAX FLAGS FILE =@SOURCE_DIR@/nitrogenMolecule_relaxationFlags.inp
set REUSE WFC=true
set REUSE DENSITY=true
set REUSE WFC=false
set REUSE DENSITY=false
end
end

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2 changes: 1 addition & 1 deletion tests/dft/pseudopotential/real/nitrogenMolecule_01.prm.in
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ subsection Geometry
set ION OPT=true
set FORCE TOL=0.1
set ION RELAX FLAGS FILE =@SOURCE_DIR@/nitrogenMolecule_relaxationFlags.inp
set REUSE DENSITY=true
set REUSE DENSITY=false
end
end

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4 changes: 2 additions & 2 deletions tests/dft/pseudopotential/real/nitrogenMolecule_02.prm.in
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ subsection Geometry
set ION OPT=true
set FORCE TOL=4e-2
set ION RELAX FLAGS FILE =@SOURCE_DIR@/nitrogenMolecule_relaxationFlags.inp
set REUSE WFC=true
set REUSE DENSITY=true
set REUSE WFC=false
set REUSE DENSITY=false
end
end

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4 changes: 2 additions & 2 deletions tests/dft/pseudopotential/real/nitrogenMolecule_02_b.prm.in
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,8 @@ subsection Geometry
set ION OPT=true
set FORCE TOL=4e-2
set ION RELAX FLAGS FILE =@SOURCE_DIR@/nitrogenMolecule_relaxationFlags.inp
set REUSE WFC=true
set REUSE DENSITY=true
set REUSE WFC=false
set REUSE DENSITY=false
end
end

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