alberto-carta 0d25aefc73 Corrections for new calc_dc and calc_mu ...

* typos and subbed check in spin polarized calculations for quantum espresso with a warning when computing the deltaN
* fixed typos in comments
* removed legacy mode maintaining only compatibility layer and switched to old (<3.10) python syntax
* added target density output in mu finder for brent and newton, refactored tunit test for DC, changed some comments

2023-03-21 09:34:49 -04:00

..

converters

fix: fix f2py command for numpy ver >1.22

2023-01-23 15:57:53 -05:00

__init__.py

synchronize dfttools with app4triqs structure

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

block_structure.py

fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)

2023-01-23 15:40:57 -05:00

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

fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)

2023-01-23 15:40:57 -05:00

sumk_dft.py

Corrections for new calc_dc and calc_mu

2023-03-21 09:34:49 -04:00

symmetry.py

update documentation to use autosummary

2022-03-02 14:13:12 -05:00

trans_basis.py

Update trans_basis for new gf_struct convention.

2022-03-08 17:47:36 +01:00

version.py.in

synchronize dfttools with app4triqs structure

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