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torbjornbjorkman
/
cif2cell
Generating geometries for electronic structure calculations from CIF files.
GNU General Public License v3.0
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'cif2cell -h' reports errors on Ubuntu24.04 LTS with python 3.12
#45
alas-go
opened
1 month ago
2
Castep cif label tag change ID->LABEL
#44
jkshenton
opened
2 months ago
0
castep cif labels tag wrong
#43
jkshenton
opened
2 months ago
0
Please tag releases
#42
merkys
closed
7 months ago
3
Fix Issue #40
#41
igorjrd
closed
9 months ago
0
Errors on fleur inpgen execution of files generated by cif2cell
#40
igorjrd
closed
9 months ago
2
Added cif file for testing resolved bug
#39
dr-geeno
closed
11 months ago
0
Updated version to 2.1.0
#38
dr-geeno
closed
11 months ago
1
update OS versions for CI
#37
ltalirz
closed
12 months ago
0
Installation from pip is not up-to-date
#36
dr-geeno
closed
11 months ago
6
looking for new maintainer
#35
ltalirz
opened
1 year ago
8
version 2.0 is giving error while reading cif files which are working fine with version 1.2.10
#34
karpathyan
opened
1 year ago
1
Added support for UppASD input file generation.
#33
anbergman
opened
1 year ago
1
Wrong number of atoms for primitive cell and removing header banner
#32
DonaldChung-HK
opened
1 year ago
1
Is PyCifRW==4.4 required?
#31
dr-geeno
closed
2 years ago
4
Added interface for crymol program
#30
dr-geeno
closed
2 years ago
0
conda package outdated
#29
anish-mudaraddi
closed
2 years ago
2
Removed duplicate keys
#28
Shohaii
closed
2 years ago
2
cannot read H-M long version ?
#27
stefaan-cottenier
opened
2 years ago
1
test on macos and windows
#26
ltalirz
closed
2 years ago
1
unresolved references
#25
ltalirz
closed
11 months ago
1
reduce wildcard imports
#24
ltalirz
closed
3 years ago
0
switch to github actions CI
#23
ltalirz
closed
3 years ago
1
drop python 2.7 support
#22
ltalirz
closed
3 years ago
0
Python 3.9 compatibility
#21
merkys
closed
3 years ago
9
cif2cell update issue
#20
MartijnVandewiele1997
closed
3 years ago
1
databasecode None
#19
ltalirz
closed
3 years ago
1
Make the output of 'cif2cell --help' deterministic
#18
merkys
closed
4 years ago
2
fix formatting of vasp2cif file
#17
ltalirz
closed
3 years ago
4
Inconsistent use of tabs and spaces in indentation in binaries/vasp2cif
#16
merkys
closed
3 years ago
1
TypeError for ref.databasecode for cifs without database information
#15
AndreyBezrukov
closed
4 years ago
0
unskip tests
#14
ltalirz
closed
4 years ago
0
Apply PEP8 formatting
#13
kmu
closed
4 years ago
1
update changelog
#12
ltalirz
opened
4 years ago
0
move docs to readthedocs
#11
ltalirz
opened
4 years ago
0
add tests from bug reports
#10
ltalirz
opened
4 years ago
2
move code from cif2cell script into cif2cell/__init__.py
#9
ltalirz
opened
4 years ago
0
add instructions for contributors
#8
ltalirz
opened
4 years ago
0
unicode handling under python2.7
#7
ltalirz
closed
3 years ago
2
clean up README
#6
ltalirz
closed
4 years ago
0
Tests and further Python 3 support
#5
kmu
closed
4 years ago
3
Add continuous integration via travis-ci
#4
ltalirz
closed
4 years ago
0
Python3 compatibility fixes
#3
ltalirz
closed
4 years ago
1
[work in progress] Packaging for pypi
#2
ltalirz
closed
4 years ago
1
python3 compatibility
#1
ltalirz
closed
4 years ago
1