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README.md
pyproject.toml
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tests/data/edmft/LaNiO2_u7_singlepoint/imp.0/Gf.out.1.1
tests/data/edmft/LaNiO2_u7_singlepoint/imp.0/Gf.out.2.1
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tests/data/elk/Al/DTOTENERGY.OUT
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tests/data/fhiaims/Fe_band_spinpol/Fe_band_structure_dos_spin.out
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tests/data/fhiaims/Fe_band_spinpol/atom_proj_dos_spin_upFe0001_raw.dat
tests/data/fhiaims/Fe_band_spinpol/band1001.out
tests/data/fhiaims/Fe_band_spinpol/band1002.out
tests/data/fhiaims/Fe_band_spinpol/band1003.out
tests/data/fhiaims/Fe_band_spinpol/band2001.out
tests/data/fhiaims/Fe_band_spinpol/band2002.out
tests/data/fhiaims/Fe_band_spinpol/band2003.out
tests/data/fhiaims/Fe_scf_spinpol/out.out
tests/data/fhiaims/GaAs_HSE06+SOC/aims.out
tests/data/fhiaims/GaAs_HSE06+SOC/control.in
tests/data/fhiaims/GaAs_HSE06+SOC/geometry.in
tests/data/fhiaims/HO_md/H2O_periodic_MD.out
tests/data/fhiaims/He_gw/He_scGW_ontop_PBE.out
tests/data/fhiaims/Si_band_dos_v071914_7/KS_DOS_total.dat
tests/data/fhiaims/Si_band_dos_v071914_7/KS_DOS_total_raw.dat
tests/data/fhiaims/Si_band_dos_v071914_7/aims_CC.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1001.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1002.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1003.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1004.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1005.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1006.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1007.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1008.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1009.out
tests/data/fhiaims/Si_band_dos_v071914_7/band1010.out
tests/data/fhiaims/Si_band_dos_v071914_7/control.in
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tests/data/fhiaims/Si_band_dos_v171221_1/KS_DOS_total.dat
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tests/data/fhiaims/Si_band_dos_v171221_1/aims_CC.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1001.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1002.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1003.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1004.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1005.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1006.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1007.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1008.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1009.out
tests/data/fhiaims/Si_band_dos_v171221_1/band1010.out
tests/data/fhiaims/Si_band_dos_v171221_1/control.in
tests/data/fhiaims/Si_band_dos_v171221_1/geometry.in
tests/data/fhiaims/Si_geomopt/out.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1001.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1002.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1003.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1004.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1005.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1006.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1007.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1008.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1009.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/GW_band1010.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/aims.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1001.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1002.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1003.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1004.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1005.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1006.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1007.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1008.out
tests/data/fhiaims/Si_pbe_vs_gw_bands/band1009.out
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tests/data/fhiaims/Si_pbe_vs_gw_bands/control.in
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tests/data/octopus/Si_scf/inp
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tests/data/onetep/TS/reac.dat
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tests/data/onetep/benz_dim/benzene_dimer_vdw.dat
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tests/data/onetep/benz_dim/benzene_dimer_vdw.out
tests/data/onetep/ethene/ethene_cond.out
tests/data/onetep/ethene/ethene_props.out
tests/data/onetep/ethene/ethene_tddft.dat
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tests/data/onetep/fluor/12-difluoroethane.dat
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tests/data/onetep/test05/chloroform.dat
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tests/data/onetep/test08/ethene_relax.dat
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tests/data/onetep/test20/npa.dat
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tests/data/onetep/test27/test27.dat
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tests/data/onetep/test41/Ethanol_anharmonic.dat
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tests/data/onetep/test41/benchmark.out.3.3.3.inp=Ethanol_anharmonic.dat
tests/data/onetep/test41/benchmark.out.4.1.5.inp=Ethanol_anharmonic.dat
tests/data/onetep/test41/benchmark.out.4.1.6.inp=Ethanol_anharmonic.dat
tests/data/onetep/test41/benchmark.out.4.2.0.inp=Ethanol_anharmonic.dat
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