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Pull requests: skmin-lab/unixmd

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Pull requests list

Implement orbital-based calculation
#236 opened Feb 19, 2024 by JaeHyeokLee98 Loading…
Cite Top. Cur. Chem., 380:8 (2022)
#232 opened Oct 16, 2023 by JaeHyeokLee98 Loading…
Implement exponential propagator with exact factorization
#230 opened Jun 9, 2023 by sjkim-unist Loading…
Implement ITMQC-XF methods in JCP, 156, 174109 (2022)
#228 opened Jan 17, 2023 by jkha-unist Loading…
3
Editing of the grammars for some program guidelines work in progress Implementing and not finished
#199 opened Nov 12, 2021 by hkimaf Loading…
3
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