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

correct force style input

Browse Source
This commit is contained in:
Axel Kohlmeyer
2024-06-19 10:40:19 -04:00
parent 83a024b26b
commit 0aff26705c
1 changed files with 6 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
unittest/force-styles/tests/mol-pair-dpd_coul_slater_long.yaml
View File

@ -12,10 +12,10 @@ pre_commands: ! |
variable newton_pair delete variable newton_pair delete
variable newton_pair index on variable newton_pair index on
comm_modify vel yes comm_modify vel yes
post_commands: ! |
kspace_style ewald 1.0e-6 kspace_style ewald 1.0e-6
kspace_modify gewald 0.3 kspace_modify gewald 0.3
kspace_modify compute no kspace_modify compute no
post_commands: ! ""
input_file: in.fourmol input_file: in.fourmol
pair_style: dpd/coul/slater/long 100.0 8.0 11223344 1.0 8.0 pair_style: dpd/coul/slater/long 100.0 8.0 11223344 1.0 8.0
pair_coeff: ! | pair_coeff: ! |
@ -26,7 +26,11 @@ pair_coeff: ! |
3 3 0.4 3.2 yes 3 3 0.4 3.2 yes
4 4 0.3 3.1 yes 4 4 0.3 3.1 yes
5 5 0.3 3.1 yes 5 5 0.3 3.1 yes
extract: ! "" extract: ! |
cut_coul 0
lamda 0
a0 2
gamma 2
natoms: 29 natoms: 29
init_vdwl: 50.81607024833933 init_vdwl: 50.81607024833933
init_coul: 246.30486150616926 init_coul: 246.30486150616926