Skip to content

Commit

Permalink
Merge pull request #4829 from ye-luo/fix-test
Browse files Browse the repository at this point in the history
Fix test input file for LiH energy density estimator voronoi variant
  • Loading branch information
prckent authored Nov 10, 2023
2 parents 1012c73 + 244cfe4 commit 1c37a5b
Show file tree
Hide file tree
Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_long.in.xml
Original file line number Diff line number Diff line change
Expand Up @@ -12028,7 +12028,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION
<determinantset>
<slaterdeterminant>
<determinant sposet="spo-up"/>
<detetminant sposet="spo-dn"/>
<determinant sposet="spo-dn"/>
</slaterdeterminant>
</determinantset>
</wavefunction>
Expand Down
2 changes: 1 addition & 1 deletion tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_short.in.xml
Original file line number Diff line number Diff line change
Expand Up @@ -12028,7 +12028,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION
<determinantset>
<slaterdeterminant>
<determinant sposet="spo-up"/>
<detetminant sposet="spo-dn"/>
<determinant sposet="spo-dn"/>
</slaterdeterminant>
</determinantset>
</wavefunction>
Expand Down

0 comments on commit 1c37a5b

Please sign in to comment.