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

Docker: Fix i-PI test

Browse source
This commit is contained in:
Ole Schütt 2024-11-20 08:52:50 +01:00 • committed by Ole Schütt
parent 7b9fbda797
commit 6062492288
1 changed files with 0 additions and 6 deletions
Download patch file Download diff file Expand all files Collapse all files

6
tests/i-PI/ipi_client.inp
View file

@ -17,12 +17,6 @@
&DFT
&QS
METHOD XTB
&XTB
&PARAMETER
PARAM_FILE_NAME xTB_parameters
PARAM_FILE_PATH /opt/cp2k/data/
&END PARAMETER
&END XTB
&END QS
&SCF
EPS_SCF 1.0E-3