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

use tokenizer to read neb initial replica files

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-03-22 20:00:54 -04:00
parent 4c13f99b04
commit 080662683d
6 changed files with 137 additions and 180 deletions
Download Patch File Download Diff File Expand all files Collapse all files

34
examples/SPIN/gneb/iron/final.iron_spin
View File

@ -32,37 +32,3 @@
31 2.2000000000000002e+00 7.1662499999999998e+00 1.0032750000000000e+01 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
32 2.2000000000000002e+00 1.0032750000000000e+01 1.0032750000000000e+01 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00

2
examples/SPIN/gneb/iron/initial.iron_spin
View File

@ -5,7 +5,7 @@ LAMMPS data file via write_data, version 4 Jan 2019, timestep = 0
0.0000000000000000e+00 1.1465999999999999e+01 xlo xhi
0.0000000000000000e+00 1.1465999999999999e+01 ylo yhi
0.0000000000000000e+00 2.8664999999999998e+00 zlo zhi
-1.0000000000000000e+00 10.0664999999999998e+00 zlo zhi
Masses