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
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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