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Clean up test files: dedicated VASP directories, xyz, mcif, cssr, exciting, wannier90 #3681

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Mar 11, 2024
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6100231
relocate fixture dir: absorption
DanielYang59 Mar 9, 2024
87721c9
relocate dir: absorption
DanielYang59 Mar 9, 2024
7779c43
relocate `BTO_221_99_polarization` dir
DanielYang59 Mar 9, 2024
168a8bd
remove unused `chgden`
DanielYang59 Mar 9, 2024
f8c4de2
remove unused `defect`
DanielYang59 Mar 9, 2024
f213401
relocate `fe_monomer`
DanielYang59 Mar 9, 2024
64d04e5
relocate
DanielYang59 Mar 9, 2024
61d6cd3
relocate `fake_potcars`
DanielYang59 Mar 9, 2024
ab1ddb4
Reapply "relocate fake_potcars"
DanielYang59 Mar 9, 2024
de1bbeb
relocate `grid_data_files`
DanielYang59 Mar 9, 2024
2e676d7
relocate `kpoints_opt`
DanielYang59 Mar 9, 2024
c581294
relocate `neb_analysis`
DanielYang59 Mar 9, 2024
31534d2
fix path typo
DanielYang59 Mar 9, 2024
05fc896
remove unused `path_finder`
DanielYang59 Mar 9, 2024
e3dde14
relocate `relaxation`
DanielYang59 Mar 9, 2024
f804a7d
relocate `reproduce_eps`
DanielYang59 Mar 9, 2024
9cb91e4
fix same typo again
DanielYang59 Mar 9, 2024
1bdc0e2
fix neb file path
DanielYang59 Mar 9, 2024
d3a1a52
relocate `scan_relaxation`
DanielYang59 Mar 9, 2024
03b1405
relocate `static_silicon`
DanielYang59 Mar 9, 2024
46d1f51
remove unused `Zr_Vasprun`
DanielYang59 Mar 9, 2024
7f13e5d
relocate `thermal_displacement_matrices`
DanielYang59 Mar 9, 2024
139b0c6
remove unused `ion_placer` from qchem
DanielYang59 Mar 10, 2024
9bc08e5
relocate VASP output WSWQ
DanielYang59 Mar 10, 2024
9d1abc2
remove unused file `sio2.pw.in`
DanielYang59 Mar 10, 2024
a0bb1e9
relocate fiesta file
DanielYang59 Mar 10, 2024
02068e9
relocate some `xyz` files
DanielYang59 Mar 10, 2024
fb6f9fd
relocate `exciting` files
DanielYang59 Mar 10, 2024
d2be8f2
relocate cssr files
DanielYang59 Mar 10, 2024
b92ab99
relocate `wannier90`files
DanielYang59 Mar 10, 2024
4ab8ca3
relocate multiple mcif files
DanielYang59 Mar 10, 2024
05aaec9
try gzip vasprun.xml in vasp fixtures
DanielYang59 Mar 10, 2024
27a4eeb
try removing skip `matgl`
DanielYang59 Mar 10, 2024
74dc13b
Revert "try removing skip `matgl`"
DanielYang59 Mar 10, 2024
a88e3d4
decompress vasprun for optics
DanielYang59 Mar 10, 2024
b4afa7a
relocate a mcif file
DanielYang59 Mar 11, 2024
6f1c23a
relocate gulp and remove moved mcif
DanielYang59 Mar 11, 2024
d9798d5
create dir for `borg`
DanielYang59 Mar 11, 2024
5de2312
create dedicated `borg` test dir
DanielYang59 Mar 11, 2024
b1017cf
Merge branch 'master' into relocate-vasp-fixtures
DanielYang59 Mar 11, 2024
e7ae000
removed unnecessary self.
DanielYang59 Mar 11, 2024
f8cbd04
fix path and use stronger assert
DanielYang59 Mar 11, 2024
9a02dfe
revert vasprun to "vasp run"
DanielYang59 Mar 11, 2024
72d6fd2
add type hints
janosh Mar 11, 2024
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remove unused defect
  • Loading branch information
DanielYang59 committed Mar 9, 2024
commit f8c4de233158ff25afc915e58b5abf29d400e0b0
137 changes: 0 additions & 137 deletions tests/files/defect/CONTCAR_bulk

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