irreducible-representations irrep issues

irreducible-representations / irrep

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issues

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Adding hdf5 support

#39 MSteggles closed 3 months ago
7
Modifications for hdf5 support?

#38 MSteggles closed 2 years ago
3
Is the `trace.txt` generated by `irrep` completely compliant with the specification implemented in `vasp2trace`?

#37 hongyi-zhao opened 2 years ago
0
The `Check Topological Mat routine` no longer exists.

#36 hongyi-zhao opened 2 years ago
0
New versions of abinit

#35 stepan-tsirkin closed 2 years ago
2
zero eigenvalue for inversion symmetry

#34 bfocassio closed 3 years ago
2
JSON output error: Object of type complex is not JSON serializable

#33 bfocassio closed 3 years ago
3
Deactivate automatic search of transformation for library use

#32 MIraola closed 3 years ago
0
Fixed aux.py filename and references.

#31 mikelgda closed 3 years ago
0
Reserved filename

#30 mikelgda closed 3 years ago
3
Json

#29 stepan-tsirkin closed 3 years ago
6
Print basis vectors of DFT and reference unit cells (referee's request)

#28 MIraola closed 3 years ago
0
Automatize cell

#27 MIraola closed 3 years ago
0
Add ability to load settings from a configuration file

#26 mkhorton closed 3 years ago
13
Efermi

#25 MIraola closed 3 years ago
7
wrote docstrings for unfolding methods

#24 stepan-tsirkin closed 3 years ago
0
Cleaning

#23 MIraola closed 3 years ago
4
Adding docstrings

#22 MIraola closed 3 years ago
0
Docstr

#21 MIraola closed 3 years ago
0
Cartesian vasp

#20 stepan-tsirkin closed 3 years ago
0
Add input files to run DFT calculations of examples

#19 MIraola closed 3 years ago
1
update version number

#18 MIraola closed 3 years ago
0
modify `calc_gvectors()` in `__gvectors.py` and add examples for `vasp`

#17 MIraola closed 3 years ago
0
How to build irrep in vertual environment

#16 kvineet66 closed 3 years ago
1
Add alert when spinor set incorrectly in VASP

#15 MIraola closed 3 years ago
2
a bit modified setup.py

#14 stepan-tsirkin closed 3 years ago
5
implemented spin-polarized calcualtions for quantum espresso

#13 stepan-tsirkin closed 3 years ago
6
Update README and version number

#12 MIraola closed 3 years ago
0
Update descriptions of input parameters + correct bug W90 interface + sort examples directory

#11 MIraola closed 3 years ago
0
Add development instructions and other improvements

#10 mkhorton closed 3 years ago
9
W90 reading data & including file/dir structure in README

#9 MIraola closed 4 years ago
0
Correcting bugs + capitalization of constant

#8 MIraola closed 4 years ago
0
Code clean-up

#7 mkhorton closed 4 years ago
2
Espresso

#6 MIraola closed 4 years ago
0
Wannier

#5 MIraola closed 4 years ago
0
Paper

#4 MIraola closed 4 years ago
0
remove debugging print lines in __spacegroup.py

#3 MIraola closed 4 years ago
0
Test qe (#1)

#2 MIraola closed 4 years ago
0
Test qe

#1 MIraola closed 4 years ago
0