use new path

c5fbee0c · Jan Janssen · 13de7538 · c5fbee0c
Commit c5fbee0c authored 4 years ago by Jan Janssen
--- a/day_3/RuNNerMD.ipynb
+++ b/day_3/RuNNerMD.ipynb
@@ -37,7 +37,7 @@
   "metadata": {},
   "outputs": [],
   "source": [
-    "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: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