jochym qe-util issues - Githubissues

jochym / qe-util

Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.

GNU General Public License v3.0

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issues

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qeio: fix indentation issue

#13 farhi closed 7 years ago
1
qeio: handle warning message in atom forces block

#12 farhi closed 7 years ago
1
Develop test set and package it for conda-forge and bring it to python3

#11 jochym opened 7 years ago
2
Fix "Avoid mutable default arguments" issue

#10 jochym closed 7 years ago
0
qeio.py: handle case with missing xml/DFT/LDA_PLUS_U token

#9 farhi closed 7 years ago
4
qeio: sometimes the 'highest occupied' line in pw.out has only one value

#8 farhi closed 7 years ago
1
Any plan to support python 3?

#7 protik77 opened 7 years ago
2
Use env var and better search for PP names

#6 farhi closed 7 years ago
8
Sub-optimal numerical expressions in QHA formulas

#5 jochym opened 10 years ago
0
Passwordless login

#4 lim520 closed 10 years ago
1
Installation of ipython

#3 lim520 closed 10 years ago
11
Error in Structural Optimization of BeO.

#2 lim520 closed 10 years ago
4
No support for ASE edit method.

#1 jochym opened 10 years ago
0