comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 22:25:32 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Adjust tolerance

Browse source
This commit is contained in:
Matthias Krack 2025-04-22 13:48:33 +02:00
parent 4f96b81657
commit ecdd97505f
1 changed files with 1 additions and 1 deletions
Download patch file Download diff file Expand all files Collapse all files

2
tests/QS/regtest-hfx-ri/TEST_FILES.toml
View file

@ -6,4 +6,4 @@
"CH-hfx-ri-rho.inp" = [{matcher="E_total", tol=3.0E-10, ref=-38.26515058472813}]
"CH3-ADMM.inp" = [{matcher="E_total", tol=2.1E-12, ref=-7.40024840153753}]
"CH3-hfx-converged.inp" = [{matcher="E_total", tol=1.0E-10, ref=-7.21317210062501}]
"Ne-hybrid-periodic-shortrange.inp" = [{matcher="E_total", tol=5.0E-12, ref=-772.9611324742208}]
"Ne-hybrid-periodic-shortrange.inp" = [{matcher="E_total", tol=5.0E-11, ref=-772.9611324742208}]