phibeck e06653d7bb This fix in the Wannier90Converter makes the function find_rot_mat ...

safer to use in case there are errors in finding the correct mapping.
The converter will now abort if the agreement in mapping is below a
user-definable threshold.

2021-11-15 15:20:08 -05:00

..

converters

This fix in the Wannier90Converter makes the function find_rot_mat

2021-11-15 15:20:08 -05:00

__init__.py

synchronize dfttools with app4triqs structure

2020-06-10 17:45:53 +02:00

block_structure.py

Bugfixes in blockstructure.py for the case of #corr_shells != #ineq_shells

2021-08-31 08:01:12 +02:00

clear_h5_output.py

synchronize dfttools with app4triqs structure

2020-06-10 17:45:53 +02:00

CMakeLists.txt

Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable

2021-02-03 11:03:08 -05:00

sumk_dft_tools.py

vectorize loop over frequencies in spaghettis

2021-10-13 17:37:33 -04:00

sumk_dft.py

Adapt sumk_dft for charge self-consistency with Quantum Espresso

2021-11-04 15:18:15 -04:00

symmetry.py

synchronize dfttools with app4triqs structure

2020-06-10 17:45:53 +02:00

trans_basis.py

Merge branch 'unstable' into py3

2020-06-23 10:53:52 +02:00

update_archive.py

synchronize dfttools with app4triqs structure

2020-06-10 17:45:53 +02:00

version.py.in

synchronize dfttools with app4triqs structure

2020-06-10 17:45:53 +02:00