comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-21 06:25:15 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Fix format in benchmark input file

Browse source 
Fix small format issue in benchmarks/QS_pao_ml_tio2/pao_ml_tio2.inp. The
benchmark runs still fine after this.

This seems atypical compared to the other input files included in the
repo. And it triggers a complicated bug in the cp2k-input-tools
https://github.com/cp2k/cp2k-input-tools. I think it is correct to fix
this here.
This commit is contained in:
Andreas Knüpfer 2024-04-11 16:55:05 +02:00 • committed by Ole Schütt
parent 10d5862cfd
commit b977e330b9
1 changed files with 2 additions and 2 deletions
Download patch file Download diff file Expand all files Collapse all files

4
benchmarks/QS_pao_ml_tio2/pao_ml_tio2.inp
View file

@ -100,8 +100,8 @@
PRIOR MEAN
TOLERANCE 1000.0
&TRAINING_SET
./test-1_0.pao
./test2-1_0.pao
test-1_0.pao
test2-1_0.pao
&END TRAINING_SET
&END MACHINE_LEARNING
&PRINT