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Clean up test files: VASP outputs #3653

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merged 44 commits into from
Mar 7, 2024
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c68d5c3
move vasprun to dedicated dir
DanielYang59 Feb 24, 2024
1fff2d4
Merge branch 'materialsproject:master' into clean-up-tests
DanielYang59 Feb 24, 2024
ee6df80
move OUTCAR to dedicated dir
DanielYang59 Feb 24, 2024
2c8eba7
fix vasp output file paths
DanielYang59 Feb 24, 2024
37868ce
move CHGCAR to dedicated dir
DanielYang59 Feb 24, 2024
649152a
relocate DOSCAR
DanielYang59 Feb 24, 2024
1bba1bf
relocate EIGENVAL
DanielYang59 Feb 24, 2024
099c205
relocate PROCAR
DanielYang59 Feb 24, 2024
428c326
relocate WAVECAR
DanielYang59 Feb 24, 2024
0044e49
relocate XDATCAR
DanielYang59 Feb 24, 2024
897fa39
relocate LOCPOT
DanielYang59 Feb 24, 2024
8c69192
relocate DYNMAT
DanielYang59 Feb 24, 2024
71964ad
relocate ELFCAR
DanielYang59 Feb 24, 2024
cb9fd86
relocate CONTCAR
DanielYang59 Feb 24, 2024
eb33d40
relocate IBZKPT
DanielYang59 Feb 24, 2024
002225f
relocate WAVEDER and WAVEDERF
DanielYang59 Feb 24, 2024
bd07afd
relocate trajectory XDATCAR
DanielYang59 Feb 24, 2024
b2d9040
relocate OSZICAR
DanielYang59 Feb 24, 2024
28c784c
temp fix: borg
DanielYang59 Feb 24, 2024
a1c25f7
rename trajectory test files
DanielYang59 Feb 24, 2024
a7301ba
remove duplicate OUTCARs
DanielYang59 Feb 24, 2024
f2a6fef
compress some CHGCAR OUTCAR PROCAR
DanielYang59 Feb 24, 2024
97891c1
compress formatted WAVEDER
DanielYang59 Feb 24, 2024
db3cd17
pre-commit auto-fixes
pre-commit-ci[bot] Feb 24, 2024
5cc1612
sort import
DanielYang59 Feb 24, 2024
af47eb7
Merge branch 'clean-up-tests' of https://github.com/DanielYang59/pyma…
DanielYang59 Feb 24, 2024
82c3729
compress OUTCAR and remove duplicate
DanielYang59 Feb 24, 2024
7951ded
compress more vasp output files
DanielYang59 Feb 24, 2024
270619c
add missing gz extension
DanielYang59 Feb 24, 2024
c4d7e6a
rename some vasprun to respect extension name
DanielYang59 Feb 28, 2024
32b1844
Merge branch 'master' into clean-up-tests
DanielYang59 Feb 28, 2024
0fa962d
rename more vasprun to respect file extension
DanielYang59 Feb 28, 2024
f2e0526
remove remaining vasprun to respect file extension
DanielYang59 Feb 28, 2024
733adf2
fix some paths after rename
DanielYang59 Feb 28, 2024
a0cabad
redirect borg to output dir for efermi search
DanielYang59 Feb 28, 2024
42cf743
Merge branch 'master' into clean-up-tests
DanielYang59 Mar 2, 2024
4a0ac92
pre-commit auto-fixes
pre-commit-ci[bot] Mar 2, 2024
59fd2b1
fix borg error
DanielYang59 Mar 5, 2024
7194a99
add test note
DanielYang59 Mar 5, 2024
a2576cd
Merge branch 'master' into clean-up-tests
DanielYang59 Mar 5, 2024
a670e9e
fix test_xe
DanielYang59 Mar 5, 2024
7eb1205
Merge branch 'clean-up-tests' of github.com:DanielYang59/pymatgen int…
DanielYang59 Mar 5, 2024
bd87dea
rename vasprun.xe and use ScratchDir
DanielYang59 Mar 7, 2024
8cc0f39
define VASP_OUT_DIR = f"{TEST_FILES_DIR}/vasp/outputs" for shorter fi…
janosh Mar 7, 2024
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Merge branch 'materialsproject:master' into clean-up-tests
  • Loading branch information
DanielYang59 authored Feb 24, 2024
commit 1fff2d4e9fe444bfd145130846e5b41368a03c22

This merge commit was added into this branch cleanly.

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