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Pull requests: MRChemSoft/mrchem

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Pull requests list

Remove macos-12 test (temporarily)
#500 opened Jan 28, 2025 by Gabrielgerez Loading…
Pseudopotentials and numeric orbitals for initial guess
#499 opened Jan 7, 2025 by moritzgubler • Draft
Save or read orbitals in text format, portable and readable by MADNESS group
#498 opened Dec 30, 2024 by gitpeterwind Loading…
Core hole calculations with MOM / IMOM
#481 opened Apr 22, 2024 by msnik1999 Loading…
@Gabrielgerez
6
Render programmers' manual in docs
#469 opened Oct 30, 2023 by robertodr Loading…
4
Molecules in high pressure environments
#467 opened Oct 11, 2023 by hugoastrom • Draft
2 of 4 tasks
5
Excited states solver WIP Work in progress
#437 opened Nov 10, 2022 by Gabrielgerez • Draft
4 of 7 tasks
2
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