|
|
772d270974
|
Merge pull request #2662 from evoyiatzis/master
Addition of a PyLammps script to compute elastic constants using OpenKIM
|
2021-03-19 13:43:19 -04:00 |
|
|
|
945ecd1f1c
|
Update kim commands
|
2021-03-19 13:23:15 -04:00 |
|
|
|
ecbb75ff3c
|
removing parentheses from mass dictionary
|
2021-03-17 12:30:02 +01:00 |
|
|
|
05d6c1e757
|
Update python/examples/pylammps/elastic/elastic.py
Co-authored-by: Richard Berger <richard.berger@temple.edu>
|
2021-03-17 10:37:39 +01:00 |
|
|
|
611eb306be
|
Update python/examples/pylammps/elastic/elastic.py
Co-authored-by: Richard Berger <richard.berger@temple.edu>
|
2021-03-17 10:37:24 +01:00 |
|
|
|
5e3ddb6986
|
Use stable branch for checkout
|
2021-03-16 16:36:34 -04:00 |
|
|
|
45b01aba0c
|
Update Jupyter notebooks
|
2021-03-16 15:18:07 -04:00 |
|
|
|
32a2ee6dc2
|
Update mc.ipynb
|
2021-03-16 14:38:26 -04:00 |
|
|
|
e9e1a96335
|
Update simply.ipynb
|
2021-03-16 14:22:26 -04:00 |
|
|
|
b4633bc2b2
|
Update PyLammps examples README
|
2021-03-16 11:49:24 -04:00 |
|
|
|
a1d8e21b04
|
Add files via upload
|
2021-03-16 13:14:20 +01:00 |
|
|
|
6f07564a92
|
Create README
|
2021-03-16 13:13:45 +01:00 |
|
|
|
ca1e1e2dff
|
Convert British spelling to American
|
2020-03-18 23:09:23 +09:00 |
|
|
|
649a8cc01a
|
Fix typo
|
2020-03-14 13:57:48 +09:00 |
|
|
|
d3169eeab3
|
Remove Make.py reference in PyLammps examples
Also fixes some regressions due to command syntax changes
|
2017-07-31 13:56:20 -06:00 |
|
|
|
2383c31f15
|
Created PyLammps documentation
Based on material presented during MD Workshop at Temple University in
August 2016.
|
2016-11-18 23:58:57 -07:00 |
|
