Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Increase C 2x2x1 Gaussian variance tolerance in short test #5177

Merged
merged 2 commits into from
Sep 20, 2024
Merged

Increase C 2x2x1 Gaussian variance tolerance in short test #5177

Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
f15a2dc
Increase C 2x2x1 Gaussian variance tolerance in short test
prckent Sep 20, 2024
da6aee8
Merge branch 'develop' into fixC211var
prckent Sep 20, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion tests/solids/diamondC_2x1x1-Gaussian_pp_cplx_MSD_excited/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,7 @@ if(QMC_COMPLEX)

#Data generated using utils/make_ref_data.sh diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT vmc_short_ground.s000.scalar.dat qmc_ref_ground_long_noj.s000.scalar.dat
list(APPEND diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT_SCALARS "totenergy" "-21.3657227937065 0.068654689630")
list(APPEND diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT_SCALARS "variance" "4.173318575244 0.206016680533")
list(APPEND diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT_SCALARS "variance" "4.173318575244 0.28")
list(APPEND diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT_SCALARS "kinetic" "19.757886856418 0.297513259260")
list(APPEND diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT_SCALARS "potential" "-41.123130287178 0.282895938880")
list(APPEND diamondC_2x1x1-Gaussian_pp_cplx_MSD_GROUND_SHORT_SCALARS "eeenergy" "-4.603005269151 0.085411994867")
Expand Down
Loading