| .. |
|
elk
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
|
plovasp
|
fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)
|
2023-01-23 15:40:57 -05:00 |
|
w90_convert
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
|
analyse_block_structure_from_gf2.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 |
|
analyse_block_structure_from_gf.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 |
|
analyse_block_structure_from_gf.ref.h5
|
Merge branch 'unstable' into py3
|
2020-06-23 10:53:52 +02:00 |
|
basis_transformation.py
|
reverting previous commit, not compatible with TRIQS/unstable
|
2023-02-01 10:05:30 +01:00 |
|
blockstructure.in.h5
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
|
blockstructure.py
|
remove gf_struct_flatten function and replace with triqs version
|
2022-03-09 09:15:10 -05:00 |
|
blockstructure.ref.h5
|
Merge branch 'unstable' into py3
|
2020-06-23 10:53:52 +02:00 |
|
calc_mu.py
|
add calc_mu test and pep8 format
|
2023-03-21 09:34:49 -04:00 |
|
CMakeLists.txt
|
elk-interface bug fixes (#228)
|
2022-11-10 11:11:28 -05:00 |
|
dc_test.py
|
outsource calc_DC_from_density into util.py and cleanup
|
2023-03-21 09:34:49 -04:00 |
|
hk_convert_hamiltonian.hk
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
hk_convert.py
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
hk_convert.ref.h5
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
|
NiO.ref.h5
|
Corrections for new calc_dc and calc_mu
|
2023-03-21 09:34:49 -04:00 |
|
NiO.ref.h5_copy
|
Corrections for new calc_dc and calc_mu
|
2023-03-21 09:34:49 -04:00 |
|
sigma_from_file.py
|
start changelog for unstable and fix python test
|
2022-07-07 09:33:16 -04:00 |
|
sigma_from_file.ref.h5
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrIrO3_rot.h5
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
|
srvo3_Gloc.py
|
fixed tests to work with dev version of triqs
|
2021-05-26 17:59:50 -04:00 |
|
srvo3_Gloc.ref.h5
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
srvo3_spectral.py
|
fix spaghettis function and update test
|
2022-04-20 11:36:10 -04:00 |
|
srvo3_spectral.ref.h5
|
vectorize loop over frequencies in spaghettis
|
2021-10-13 17:37:33 -04:00 |
|
srvo3_transp.py
|
fix transport test, allow for parallel execution of tests
|
2022-04-20 11:36:10 -04:00 |
|
srvo3_transp.ref.h5
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3_Sigma_transport.h5
|
fix transport test, allow for parallel execution of tests
|
2022-04-20 11:36:10 -04:00 |
|
SrVO3_Sigma.h5
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3_spectral.h5
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
|
SrVO3.ctqmcout
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.oubwin
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.outputs
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.parproj
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.pmat
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.ref.h5
|
Corrections for new calc_dc and calc_mu
|
2023-03-21 09:34:49 -04:00 |
|
SrVO3.ref.h5_copy
|
Corrections for new calc_dc and calc_mu
|
2023-03-21 09:34:49 -04:00 |
|
SrVO3.struct
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.sympar
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
SrVO3.symqmc
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
sumkdft_basic.py
|
fix bugs and tests
|
2022-04-20 11:36:10 -04:00 |
|
sumkdft_basic.ref.h5
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
w90_convert_fermienergy.py
|
Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis
|
2022-04-15 10:51:37 -04:00 |
|
w90_convert_LaVO3.py
|
Split wannier90 tests up
|
2022-04-19 17:03:49 +02:00 |
|
w90_convert_SrVO3_col.py
|
Split wannier90 tests up
|
2022-04-19 17:03:49 +02:00 |
|
w90_convert_SrVO3_soc.py
|
Fix for wannier converter: reordering of orbital/spin order only necessary for vasp 5
|
2022-10-19 11:28:33 +02:00 |
|
w90_convert_SrVO3_t2g_col.py
|
Split wannier90 tests up
|
2022-04-19 17:03:49 +02:00 |
|
wien2k_convert.py
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
wien2k_convert.ref.h5
|
Elk Transport code and subsequent updates (#229)
|
2023-01-04 17:16:57 -05:00 |
