| .. |
|
plovasp
|
fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)
|
2023-01-25 15:04:14 -05:00 |
|
analyse_block_structure_from_gf2.py
|
fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)
|
2023-01-25 15:04:14 -05:00 |
|
analyse_block_structure_from_gf.py
|
fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)
|
2023-01-25 15:04:14 -05:00 |
|
analyse_block_structure_from_gf.ref.h5
|
Merge branch 'unstable' into py3
|
2020-06-23 10:53:52 +02:00 |
|
basis_transformation.py
|
Remove tkinter import (don't know how this ended up in the code)
|
2022-03-09 10:07:10 +01:00 |
|
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 converter (#151)
|
2020-10-09 08:35:28 -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 |
|
LaVO3-Pbnm_hr.dat
|
added new test in w90_convert.py for rot_mat_type='hloc_diag'
|
2020-08-17 19:31:32 +02:00 |
|
LaVO3-Pbnm.inp
|
added new test in w90_convert.py for rot_mat_type='hloc_diag'
|
2020-08-17 19:31:32 +02:00 |
|
LaVO3-Pnma_ef_hr.dat
|
Merge branch 'unstable' into py3
|
2020-06-23 10:53:52 +02:00 |
|
LaVO3-Pnma_ef.inp
|
Merge branch 'unstable' into py3
|
2020-06-23 10:53:52 +02:00 |
|
LaVO3-Pnma_hr.dat
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
LaVO3-Pnma.inp
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
PROJ.OUT
|
Elk converter (#151)
|
2020-10-09 08:35:28 -04:00 |
|
sigma_from_file.py
|
Replace remaing occurances of SrVO3.h5 with SrVO3.ref.h5
|
2020-06-10 12:48:43 -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
|
vectorize loop over frequency in dos functions and add tests
|
2021-10-13 14:09:48 -04:00 |
|
srvo3_spectral.ref.h5
|
vectorize loop over frequencies in spaghettis
|
2021-10-13 17:37:33 -04:00 |
|
srvo3_transp.py
|
renamed converters from app_converter.py to app.py
|
2020-06-23 11:13:00 +02:00 |
|
srvo3_transp.ref.h5
|
synchronize dfttools with app4triqs structure
|
2020-06-10 17:45:53 +02:00 |
|
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
|
removed SrVO3 now SrVO3.ref.h5 and changed the test
|
2020-06-10 18:17:16 +02:00 |
|
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 |
|
test_w90_ef.py
|
renamed converters from app_converter.py to app.py
|
2020-06-23 11:13:00 +02:00 |
|
w90_convert_hloc_diag.ref.h5
|
Updates of Wannier90Converter: (#169)
|
2021-05-06 08:37:15 -04:00 |
|
w90_convert_wannier.ref.h5
|
Updates of Wannier90Converter: (#169)
|
2021-05-06 08:37:15 -04:00 |
|
w90_convert.py
|
Updates of Wannier90Converter: (#169)
|
2021-05-06 08:37:15 -04:00 |
|
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 |
