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plovasp
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small adjustments to Vasp converter (closes #146)
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2020-08-03 12:39:34 +02:00 |
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w90_convert
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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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analyse_block_structure_from_gf2.py
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Update Unit-Tests to new gfstruct
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2022-03-08 18:50:17 +01:00 |
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analyse_block_structure_from_gf.py
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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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analyse_block_structure_from_gf.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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basis_transformation.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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blockstructure.in.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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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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CMakeLists.txt
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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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EFERMI.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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EIGVAL.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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elk_convert.py
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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elk_convert.ref.h5
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elk interface bug fixs
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2021-12-15 12:57:57 +00:00 |
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elk.in
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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GEOMETRY.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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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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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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KPOINTS.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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LATTICE.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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PROJ.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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sigma_from_file.py
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Replace remaing occurances of SrVO3.h5 with SrVO3.ref.h5
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2020-06-10 12:48:43 -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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SrIrO3_rot.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_Gloc.py
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fixed tests to work with dev version of triqs
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2021-05-26 17:59:50 -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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vectorize loop over frequency in dos functions and add tests
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2021-10-13 14:09:48 -04:00 |
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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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renamed converters from app_converter.py to app.py
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2020-06-23 11:13:00 +02:00 |
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srvo3_transp.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_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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vectorize loop over frequency in dos functions and add tests
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2021-10-13 14:09:48 -04:00 |
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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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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
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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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removed SrVO3 now SrVO3.ref.h5 and changed the test
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2020-06-10 18:17:16 +02:00 |
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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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SYMCRYS.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -04:00 |
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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.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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WANPROJ_L02_S03_A0001.OUT
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Elk converter (#151)
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2020-10-09 08:35:28 -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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synchronize dfttools with app4triqs structure
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2020-06-10 17:45:53 +02:00 |
