chemfiles / chemfiles.py

Python binding to chemfiles

http://chemfiles.org/chemfiles.py/

chemfiles/chemfiles.py Issues

[chemfiles 0.10.4] Cannot find libchemfiles.dll
Closed a year ago1
How to load LAMMPS data file with chemfiles.py
Updated 2 years ago1
Add python 3.10 support
Closed 2 years ago3
Error with editable installation
Closed 3 years ago3
Add parameters documentation
Updated 4 years ago
Selection function can not select name == 1.
Closed 4 years ago2
Tutorials/Examples are broken
Closed 5 years ago3
Leaking file handles
Closed 5 years ago1
Add implementations of __repr__ for all types
Closed 5 years ago
Convert the build system to use scikit-build
Closed 7 years ago
Use a pre-built version of chemfiles if available
Closed 7 years ago1
Add examples to all functions
Updated 7 years ago
Check relocation of the conda recipe
Closed 7 years ago1
Add testing on Travis
Closed 9 years ago