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elk
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Fix compatibility against numpy 2.0
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2024-06-21 11:47:39 -04:00 |
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plovasp
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[vasp] change normion default to False
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2023-07-24 11:30:39 -04:00 |
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w90_convert
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read wannier centres and symmetry kpath from w90 (#253)
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2024-06-03 15:00:01 -04:00 |
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w90_optics
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feat: optical prop with Wannier90 and WannierBerri
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2023-03-23 12:24:38 -04:00 |
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analyse_block_structure_from_gf2.py
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[feat] improved standard behavior of block struct (#248)
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2024-02-26 14:50:24 -05:00 |
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analyse_block_structure_from_gf.py
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[feat] improved standard behavior of block struct (#248)
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2024-02-26 14:50:24 -05:00 |
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analyse_block_structure_from_gf.ref.h5
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[feat] improved standard behavior of block struct (#248)
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2024-02-26 14:50:24 -05:00 |
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basis_transformation.py
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[fix] U_matrix renamed to U_matrix_slater e7310c8
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2023-06-02 10:15:29 -04:00 |
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blockstructure.in.h5
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Elk Transport code and subsequent updates (#229)
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2023-01-04 17:16:57 -05:00 |
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blockstructure.py
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remove gf_struct_flatten function and replace with triqs version
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2022-03-09 09:15:10 -05:00 |
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blockstructure.ref.h5
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Merge branch 'unstable' into py3
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2020-06-23 10:53:52 +02:00 |
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calc_density_correction.py
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[fix] calc_density_correction: see issue #250
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2024-03-15 20:46:55 -04:00 |
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calc_mu.py
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[feat] add option to use DLR mesh in Sumk (#254)
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2024-05-26 20:35:41 -04:00 |
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CMakeLists.txt
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feat: optical prop with Wannier90 and WannierBerri
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2023-03-23 12:24:38 -04:00 |
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dc_test.py
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[feat] improved standard behavior of block struct (#248)
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2024-02-26 14:50:24 -05:00 |
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hk_convert_hamiltonian.hk
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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hk_convert.py
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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hk_convert.ref.h5
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Elk Transport code and subsequent updates (#229)
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2023-01-04 17:16:57 -05:00 |
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NiO.ref.h5
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Corrections for new calc_dc and calc_mu
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2023-03-21 09:34:49 -04:00 |
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NiO.ref.h5_copy
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Corrections for new calc_dc and calc_mu
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2023-03-21 09:34:49 -04:00 |
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sigma_from_file.py
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start changelog for unstable and fix python test
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2022-07-07 09:33:16 -04:00 |
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sigma_from_file.ref.h5
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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sr2ruo4_transp.ref.h5
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test: correct broken tests and append new one
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2023-03-23 12:26:22 -04:00 |
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SrIrO3_rot.h5
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Elk Transport code and subsequent updates (#229)
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2023-01-04 17:16:57 -05:00 |
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srvo3_Gloc.py
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[feat] add option to use DLR mesh in Sumk (#254)
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2024-05-26 20:35:41 -04:00 |
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srvo3_Gloc.ref.h5
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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srvo3_spectral.py
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doc, log and minor updates
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2023-06-19 14:34:47 +01:00 |
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srvo3_spectral.ref.h5
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vectorize loop over frequencies in spaghettis
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2021-10-13 17:37:33 -04:00 |
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srvo3_transp.py
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[fix] update mpi.all_reduce calls 52bccac
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2023-06-02 10:51:48 -04:00 |
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srvo3_transp.ref.h5
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test: correct broken tests and append new one
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2023-03-23 12:26:22 -04:00 |
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SrVO3_Sigma_transport.h5
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fix transport test, allow for parallel execution of tests
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2022-04-20 11:36:10 -04:00 |
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SrVO3_Sigma.h5
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3_spectral.h5
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Elk Transport code and subsequent updates (#229)
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2023-01-04 17:16:57 -05:00 |
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SrVO3.ctqmcout
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.oubwin
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.outputs
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.parproj
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.pmat
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.ref.h5
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Corrections for new calc_dc and calc_mu
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2023-03-21 09:34:49 -04:00 |
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SrVO3.ref.h5_copy
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Corrections for new calc_dc and calc_mu
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2023-03-21 09:34:49 -04:00 |
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SrVO3.struct
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.sympar
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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SrVO3.symqmc
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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sumkdft_basic.py
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[feat] improved standard behavior of block struct (#248)
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2024-02-26 14:50:24 -05:00 |
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sumkdft_basic.ref.h5
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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w90_convert_fermienergy.py
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Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis
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2022-04-15 10:51:37 -04:00 |
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w90_convert_LaVO3.py
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Split wannier90 tests up
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2022-04-19 17:03:49 +02:00 |
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w90_convert_SrVO3_col.py
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Split wannier90 tests up
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2022-04-19 17:03:49 +02:00 |
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w90_convert_SrVO3_soc.py
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Fix for wannier converter: reordering of orbital/spin order only necessary for vasp 5
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2022-10-19 11:28:33 +02:00 |
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w90_convert_SrVO3_t2g_col.py
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Split wannier90 tests up
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2022-04-19 17:03:49 +02:00 |
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w90_optics_Sr2RuO4.py
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refactor & fix: merge the two read functions and small fixes
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2023-03-23 12:57:15 -04:00 |
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wien2k_convert.py
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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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wien2k_convert.ref.h5
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Elk Transport code and subsequent updates (#229)
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2023-01-04 17:16:57 -05:00 |
