pyiron-workshop potentials-workshop-2021 issues

pyiron-workshop / potentials-workshop-2021

Workshop - workflows for atomistic simulation (10-12 March 2021)

https://pyiron.org/potentials-workshop-2021/

BSD 3-Clause "New" or "Revised" License

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Extra notebooks

#70 sudarsan-surendralal closed 3 years ago
1
Query Cu-fcc surface energies from atomsitictools.org

#69 yury-lysogorskiy closed 3 years ago
1
Add Jupyterbook

#68 jan-janssen closed 3 years ago
0
Update potential database

#67 jan-janssen closed 3 years ago
0
Workflow-RuNNer.ipynb needs update

#66 max-hassani closed 3 years ago
2
add df4 to day2/00-IntroductionDay2.ipynb

#65 yury-lysogorskiy closed 3 years ago
1
Executed all the notebooks again on workshop.pyiron.org

#64 jan-janssen closed 3 years ago
1
Cosmetic changes

#63 sudarsan-surendralal closed 3 years ago
1
Clean up day3

#62 jan-janssen closed 3 years ago
1
Rename the repository to potentials-workshop-2021

#61 jan-janssen closed 3 years ago
0
Runner use central dataset

#60 jan-janssen closed 3 years ago
2
Pacemaker - remove pyiron_gpl from requirements

#59 jan-janssen closed 3 years ago
1
Place database inside resources

#58 jan-janssen closed 3 years ago
0
Feedback ex_02_creating_structure_databases

#57 jan-janssen closed 3 years ago
0
Feedback ex_01_introduction_to_pyiron

#56 jan-janssen closed 3 years ago
1
Updated final notebook, included RuNNerFit.ipynb to Workflow-RuNNer.i…

#55 mrshrbld closed 3 years ago
1
remove ace potential validation; add E-V curve only

#54 yury-lysogorskiy closed 3 years ago
1
Final changes

#53 sudarsan-surendralal closed 3 years ago
6
Update pyiron_contrib 0.0.8

#52 jan-janssen closed 3 years ago
0
Remove old RuNNer potential

#51 jan-janssen closed 3 years ago
0
Update pyiron-data

#50 jan-janssen closed 3 years ago
0
add df4

#49 jan-janssen closed 3 years ago
1
Updates

#48 Leimeroth closed 3 years ago
5
Updates to day2/runner and ressources/lammps/potentials/runner

#47 mrshrbld closed 3 years ago
6
Data intro notebook

#46 yury-lysogorskiy closed 3 years ago
5
Update potentials_lammps.csv

#45 pmrv closed 3 years ago
0
RuNNer potentials fail for surface calculations

#44 sudarsan-surendralal closed 3 years ago
9
Add best potentials

#43 jan-janssen closed 3 years ago
9
Update pyiron_contrib to 0.0.7

#42 jan-janssen closed 3 years ago
1
Atomicrex limit iterations to 500

#41 jan-janssen closed 3 years ago
1
Update pyiron to 0.4.2

#40 jan-janssen closed 3 years ago
0
setup database

#39 jan-janssen closed 3 years ago
0
Merge

#38 jan-janssen closed 3 years ago
0
Remove old notebooks

#37 jan-janssen closed 3 years ago
1
Merge

#36 jan-janssen closed 3 years ago
0
Update README.md

#35 jan-janssen closed 3 years ago
0
Update to pyiron 0.4.1 and pyiron_atomistics 0.2.6

#34 jan-janssen closed 3 years ago
0
add database

#33 jan-janssen closed 3 years ago
0
Pymatgen

#32 jan-janssen closed 3 years ago
1
Using the new functions

#31 sudarsan-surendralal closed 3 years ago
2
Update pyiron_contrib to 0.0.6

#30 jan-janssen closed 3 years ago
0
Coordinating lammps potential name

#29 pmrv closed 3 years ago
3
Merge

#28 jan-janssen closed 3 years ago
0
Update pyiron_contrib - not yet available

#27 jan-janssen closed 3 years ago
0
Add Marius notebook

#26 jan-janssen closed 3 years ago
1
Update pyiron_data to 0.0.12

#25 jan-janssen closed 3 years ago
0
Add RuNNer fitting and use in MD Notebook

#24 pmrv closed 3 years ago
8
Enable delete branch

#23 jan-janssen closed 3 years ago
0
Update pyiron_data to 0.0.11

#22 jan-janssen closed 3 years ago
0
Cleanup

#21 sudarsan-surendralal closed 3 years ago
1