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mirror of https://github.com/triqs/dft_tools synced 2024-12-23 04:43:42 +01:00
dft_tools/test/python
2023-06-05 09:56:12 -04:00
..
elk fixed test 2023-04-17 11:05:27 +01:00
plovasp [test] adjust NiO reference h5-file 2023-03-27 18:55:59 +02:00
w90_convert Elk Transport code and subsequent updates (#229) 2023-01-04 17:16:57 -05:00
w90_optics feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
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 [fix] U_matrix renamed to U_matrix_slater e7310c8 2023-06-02 10:15:29 -04:00
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 feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
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
sr2ruo4_transp.ref.h5 test: correct broken tests and append new one 2023-03-23 12:26:22 -04:00
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 spectral routines update 2023-04-14 23:43:23 +01:00
srvo3_spectral.ref.h5 vectorize loop over frequencies in spaghettis 2021-10-13 17:37:33 -04:00
srvo3_transp.py [fix] update mpi.all_reduce calls 52bccac 2023-06-02 10:51:48 -04:00
srvo3_transp.ref.h5 test: correct broken tests and append new one 2023-03-23 12:26:22 -04:00
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
w90_optics_Sr2RuO4.py refactor & fix: merge the two read functions and small fixes 2023-03-23 12:57:15 -04:00
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