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Update to v0.2.2
1 parent 1c345d0 commit 63c7534

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Lines changed: 2 additions & 2 deletions

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src/abacusagent/modules/tool_wrapper.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -22,7 +22,7 @@ def run_abacus_calculation(
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relax: bool = False,
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relax_cell: bool = True,
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relax_precision: Literal['low', 'medium', 'high'] = 'medium',
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property: Literal['relaxed_structure', 'bader_charge', 'elf', 'band', 'dos', 'elastic_properties', 'eos', 'phonon_dispersion', 'md'] = 'bader_charge',
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property: Literal['bader_charge', 'elf', 'band', 'dos', 'elastic_properties', 'eos', 'phonon_dispersion', 'md'] = 'bader_charge',
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lcao: bool = True,
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nspin: Literal[1, 2, 4] = 1,
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dft_functional: Literal['PBE', 'PBEsol', 'LDA', 'SCAN', 'HSE', "PBE0", 'R2SCAN'] = 'PBE',

src/abacusagent/version.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
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import subprocess
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import os
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BASE_VERSION = "v0.2.1"
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BASE_VERSION = "v0.2.2"
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def _no_need_subversion():
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try:

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