pyiron FAQs issues - Githubissues

pyiron / FAQs

General question board for pyiron users

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Read pontential file from another job

#66 aageo25 opened 2 weeks ago
0
Error when access localhost JupyterHub session in chrome

#65 usaikia opened 2 weeks ago
1
Error while collecting

#63 LAPikachu opened 2 weeks ago
3
How to only "collect" a LAMMPS finished calculation

#62 aageo25 opened 3 weeks ago
2
How to use `input/structure` from another project

#59 aageo25 opened 1 month ago
2
How to modify shared jobs?

#58 jan-janssen opened 1 month ago
0
How to decrease the precision in `dump.out` from a `LAMMPS` job

#57 aageo25 opened 1 month ago
2
Add labels to issues

#56 srmnitc opened 1 month ago
0
How to setup constrained atoms in a LAMMPS `jobtype`?

#54 aageo25 opened 1 month ago
12
How to read a custom LAMMPS potential file

#53 aageo25 opened 2 months ago
4
'Database busy with too many connections' warning when importing pyiron

#52 pkruzikova opened 2 months ago
10
how to read other people's project?

#50 jyang2009 opened 3 months ago
0
OSError: Unable to synchronously open file (truncated file: eof = 48, sblock->base_addr = 0, stored_eof = 2048)

#49 jan-janssen closed 3 months ago
1
How to enable auto-completion in Jupyter Notebooks?

#48 jan-janssen opened 3 months ago
0
How to publish calculation with pyiron?

#46 jan-janssen opened 3 months ago
0
How to change atom colors from plot3d (nglview) in ball-and-stick based on species position and type

#45 ahmedabdelkawy opened 4 months ago
0
How to upload and animate trajectories from xyz file

#44 ahmedabdelkawy opened 4 months ago
4
LAMMPS conda mpi and pyiron data

#43 Tara-Lakshmipathy opened 4 months ago
7
Setup CASTEP and pyiron

#41 aageo25 opened 4 months ago
0
Helpful SLURM commands

#40 aageo25 opened 4 months ago
3
Avoid bad performance of jobs view.

#38 XzzX opened 4 months ago
0
How to switch between different clusters?

#37 jan-janssen opened 4 months ago
0
LAMMPS molecular dynamics calculation fail with `ERROR: Attempting to rescale a 0.0 temperature (src/velocity.cpp:719)`

#35 jan-janssen opened 4 months ago
0
How to have custom JupyterLab extension on cluster?

#34 skatnagallu opened 4 months ago
0
How to check which pyiron version is loaded on the command line?

#33 jan-janssen opened 4 months ago
0
Create a customized pyiron parser

#32 aageo25 opened 5 months ago
5
Explain how to install pyiron from git

#31 jan-janssen opened 5 months ago
0
How to create and save an input file from pyiron without creating a pyiron database entry?

#30 skatnagallu opened 5 months ago
1
How to restart calculation with LAMMPS and VASP?

#28 jan-janssen opened 5 months ago
3
Specify the number of cores per node in pysqa

#27 jan-janssen opened 5 months ago
0
How to specify raw input in lammps

#24 ligerzero-ai opened 5 months ago
0
How to set a pseudo potential in pyiron?

#23 jan-janssen opened 5 months ago
1
How to resolve conflicts with `conda` not being able to install `pyiron` or `lammps`?

#22 jan-janssen opened 6 months ago
1
Does pyiron support Python 3.12?

#21 jan-janssen opened 6 months ago
1
Moving and Removing HDF5 files from the command line breaks the pyiron database

#20 jan-janssen opened 6 months ago
1
force install conda GPU package [not fully resolved]

#16 ligerzero-ai opened 7 months ago
8
a temporary fix for parsing failed lammps md job

#15 jyang2009 opened 7 months ago
0
Enable autocompletion for dynamic content

#13 niklassiemer opened 7 months ago
0
layers in parsers

#11 samwaseda opened 7 months ago
1
developing a pyiron class for MD calculation postprocessing

#10 jyang2009 opened 7 months ago
0
Configuring VASP with pyiron (HPC cluster)

#9 pkruzikova opened 7 months ago
1
Install pyiron on Vera (C3SE HPC@Chalmers)

#7 aageo25 opened 8 months ago
9
Pyiron on HPC cluster - potential files missing

#6 pkruzikova closed 8 months ago
3
How to start a Jupyter server on a compute cluster?

#5 jan-janssen opened 8 months ago
1
Introduction to git - useful links

#4 aageo25 opened 8 months ago
0
How to avoid reloading the full kernel if changing source files?

#3 niklassiemer opened 8 months ago
0
Create a custom conda environment on the cluster

#1 samwaseda opened 8 months ago
4