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dft_tools/test/python
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AlynJ ce4aed3551
elk-interface bug fixes (#228) 
updated the Elk interface to fix some minor bugs which arose for certain systems with equivalent atoms. I've also included new tests for this interface and collated all of these interface tests in the "test/python/elk" subdirectory.
2022-11-10 11:11:28 -05:00
..
elk elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
plovasp small adjustments to Vasp converter (closes #146) 2020-08-03 12:39:34 +02:00
w90_convert 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
analyse_block_structure_from_gf2.py Update Unit-Tests to new gfstruct 2022-03-08 18:50:17 +01:00
analyse_block_structure_from_gf.py fix misusage of GfImFreq in create_gf 2022-10-05 16:28:31 -04:00
analyse_block_structure_from_gf.ref.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
basis_transformation.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
blockstructure.in.h5 Merge branch 'unstable' into py3 2020-06-23 10:53:52 +02:00
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
CMakeLists.txt elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
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 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
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 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
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 vectorize loop over frequency in dos functions and add tests 2021-10-13 14:09:48 -04:00
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 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
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 synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00