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dft_tools/test/python
History
Alexander Hampel 213016ee1c fix transport test, allow for parallel execution of tests
2022-04-20 11:36:10 -04:00
..
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
Merge branch 'unstable' into py3
2020-06-23 10:53:52 +02:00
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
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
EFERMI.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
EIGVAL.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
elk_convert.py
Elk converter (#151)
2020-10-09 08:35:28 -04:00
elk_convert.ref.h5
elk interface bug fixs
2021-12-15 12:57:57 +00:00
elk.in
Elk converter (#151)
2020-10-09 08:35:28 -04:00
GEOMETRY.OUT
Elk converter (#151)
2020-10-09 08:35:28 -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
synchronize dfttools with app4triqs structure
2020-06-10 17:45:53 +02:00
KPOINTS.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
LATTICE.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
PROJ.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
sigma_from_file.py
fix bugs and tests
2022-04-20 11:36:10 -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
SYMCRYS.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
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
Split wannier90 tests up
2022-04-19 17:03:49 +02:00
w90_convert_SrVO3_t2g_col.py
Split wannier90 tests up
2022-04-19 17:03:49 +02:00
WANPROJ_L02_S03_A0001.OUT
Elk converter (#151)
2020-10-09 08:35:28 -04:00
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