ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Update and rename mol-pair-lj_improved_cut.yaml to mol-pair-lj_pirani.yaml

Browse Source 
New name
This commit is contained in:
Mateo Rodríguez
2025-04-22 14:55:38 +02:00
committed by GitHub
parent da903e6d44
commit 25307b049c
1 changed files with 2 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
unittest/force-styles/tests/mol-pair-lj_improved_cut.yaml → unittest/force-styles/tests/mol-pair-lj_pirani.yaml
View File

@ -6,12 +6,12 @@ epsilon: 5e-14
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/improved/cut pair lj/pirani
pre_commands: ! "" pre_commands: ! ""
post_commands: ! | post_commands: ! |
pair_modify shift yes pair_modify shift yes
input_file: in.fourmol input_file: in.fourmol
pair_style: lj/improved/cut 8.0 pair_style: lj/pirani 8.0
pair_coeff: ! | pair_coeff: ! |
1 1 1.0 12.0 6.0 2.5 0.02 1 1 1.0 12.0 6.0 2.5 0.02
1 2 1.5 9.0 6.0 1.75 0.01 1 2 1.5 9.0 6.0 1.75 0.01