Add ISEARCH parameter to incar_parameters.json#4521
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shyuep merged 1 commit intomaterialsproject:masterfrom Oct 17, 2025
Merged
Add ISEARCH parameter to incar_parameters.json#4521shyuep merged 1 commit intomaterialsproject:masterfrom
ISEARCH parameter to incar_parameters.json#4521shyuep merged 1 commit intomaterialsproject:masterfrom
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Signed-off-by: Seán Kavanagh <51478689+kavanase@users.noreply.github.com>
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pymatgen/src/pymatgen/io/vasp/inputs.py Line 1019 in 8218934 Never mind, I guess it would be correctly inferred as pymatgen/src/pymatgen/io/vasp/inputs.py Lines 1087 to 1091 in 8218934 Guess those recording in |
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…ease latest version; materialsproject/pymatgen#4521)" This reverts commit af19807.
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…ease latest version; materialsproject/pymatgen#4521)" This reverts commit af19807.
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Summary
VASP 6.5 introduces the
ISEARCHparameter: https://www.vasp.at/wiki/index.php/ISEARCHThis PR add
ISEARCHtoincar_parameters.json, so that it is recognised as a valid INCAR flag.