small update for consistency

This commit is contained in:
Axel Kohlmeyer
2024-06-22 20:33:44 -04:00
parent 7e7f3c08f4
commit 5207b93fd8

View File

@ -1,6 +1,6 @@
---
lammps_version: 7 Feb 2024
tags: generated
tags:
date_generated: Wed Jun 5 18:31:11 2024
epsilon: 1e-12
skip_tests:
@ -14,7 +14,11 @@ post_commands: ! |
pair_style lj/spica 8.0
input_file: in.spica
angle_style: spica
angle_coeff: ! "1 33.5 110.1 \n2 46.1 111.3 \n3 40.0 120.0 \n4 33.0 108.5 \n"
angle_coeff: ! |
1 33.5 110.1
2 46.1 111.3
3 40.0 120.0
4 33.0 108.5
equilibrium: 4 1.9216075064457565 1.9425514574696887 2.0943951023931953 1.8936822384138474
extract: ! ""
natoms: 29