geem-lab pnictogen issues - Githubissues

geem-lab / pnictogen

⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages

https://pypi.org/project/pnictogen/

MIT License

18 stars 4 forks source link

issues

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Troubles in installation

#16 caprilesport opened 2 years ago
0
Creating pnictogen from Avogadro2

#14 ghutchis opened 3 years ago
3
Add Zenodo bagde

#13 schneiderfelipe opened 5 years ago
0
How can we profit from templates inheritance?

#12 schneiderfelipe opened 5 years ago
0
Options from command-line to template context

#11 schneiderfelipe opened 5 years ago
0
Do we need a manpage?

#10 schneiderfelipe opened 5 years ago
0
FileNotFoundError when looking for "../repo"

#9 schneiderfelipe closed 5 years ago
1
Create a conda build recipe

#8 schneiderfelipe opened 5 years ago
0
Create documentation

#7 schneiderfelipe opened 5 years ago
0
AttributeError: 'module' object has no attribute 'OBConformerSearch'

#6 schneiderfelipe closed 5 years ago
5
Which data model for molecule is correct/best?

#5 schneiderfelipe closed 5 years ago
5
How to store templates?

#4 schneiderfelipe closed 5 years ago
3
Superfluous examples/boilerplates files

#3 schneiderfelipe closed 5 years ago
1
DALTON: default boilerplate using Open Babel

#2 berquist closed 5 years ago
2
Automated testing with Travis CI

#1 berquist closed 5 years ago
1