Commit c5fbee0c authored by Jan Janssen's avatar Jan Janssen
Browse files

use new path

parent 13de7538
%% Cell type:code id:suffering-touch tags:
``` python
from pyiron import Project
```
%% Cell type:code id:geological-bankruptcy tags:
``` python
pr = Project('md_run')
```
%% Cell type:code id:prompt-evaluation tags:
``` python
j = pr.create.job.Lammps("md", delete_existing_job=True)
```
%% Cell type:code id:governing-consortium tags:
``` python
j.potential = Project('../day_2/runner/runner_fit').load('fit').lammps_potential
j.potential = Project('../day_2/02-runner/runner_fit').load('fit').lammps_potential
```
%% Cell type:code id:authentic-moscow tags:
``` python
j.structure = pr.create.structure.ase_bulk('Cu', cubic=True).repeat(3)
```
%% Cell type:code id:tamil-witch tags:
``` python
j.structure.plot3d()
```
%% Output
%% Cell type:code id:fatty-asbestos tags:
``` python
j.calc_md(n_ionic_steps=1000, temperature=500)
```
%% Cell type:code id:under-shirt tags:
``` python
%%time
j.run()
```
%% Output
The job md was saved and received the ID: 13792062
CPU times: user 370 ms, sys: 58 ms, total: 428 ms
Wall time: 53 s
%% Cell type:code id:liked-thomson tags:
``` python
j.animate_structure()
```
%% Output
......
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