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Set kpoints
in from_str
method as integer in auto Gamma and Monkhorst modes
#3994
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Merged
janosh
merged 23 commits into
materialsproject:master
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DanielYang59:fix-kpts-as-int
Aug 20, 2024
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25a74db
kpoints as int in auto Gamma and Monkhorst
DanielYang59 f027ec6
add deprecation warning and docstring tweak
DanielYang59 1e368eb
Merge branch 'master' into fix-kpts-as-int
DanielYang59 c90a3fe
add unit test
DanielYang59 72f494f
filter Kpoints warning
DanielYang59 a7e36c1
docstring tweaks
DanielYang59 1a6b5f5
also test deprecation warning
DanielYang59 7225618
merge tests into test_static_constructors
DanielYang59 4d4e02c
assert int type in automatic_density methods
DanielYang59 17b2b38
clarify typing for Kpoint
DanielYang59 5dee8ce
relocate setter and getter to avoid mypy redefine errors
DanielYang59 4f07349
type annotate some class vars
DanielYang59 c6d73d4
remove boilerplate code
DanielYang59 5311143
revert changes in io.vasp.inputs
DanielYang59 c55c885
revert change in POTCAR_spec
DanielYang59 2698e61
reapply deprecation warning
DanielYang59 182ab95
My bad, reapply float -> int change
DanielYang59 b4cfdca
use Tuple3Ints for more specific typing
DanielYang59 8a4d8f3
use Tuple3Floats when type is known
DanielYang59 179eb39
Merge branch 'master' into fix-kpts-as-int
DanielYang59 225b1e0
Merge branch 'master' into fix-kpts-as-int
DanielYang59 bfedeb2
Merge branch 'master' into fix-kpts-as-int
DanielYang59 b3926d9
Merge branch 'master' into fix-kpts-as-int
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It should be Gamma-centered only according to the VASP Wiki?