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Pull requests: MolSSI-BSE/basis_set_exchange

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Pull requests list

Include Dyall's basis sets
#324 opened Nov 16, 2024 by susilehtola Loading…
1
Include 10s10p10d10f protonic auxiliary basis
#323 opened Nov 11, 2024 by susilehtola Loading…
1
Fix author order in roos2004a reference.
#321 opened Oct 31, 2024 by susilehtola Loading…
2
Include positronic basis sets of Moncada et al
#312 opened Jul 15, 2024 by susilehtola Loading…
4
WIP: Augmentation adds contracted exponents as free primitives
#232 opened Nov 9, 2021 by susilehtola Loading…
1
Implemented P-orthogonalization.
#205 opened Mar 4, 2021 by susilehtola Loading…
1
1
WIP: Implement manual augmentation
#204 opened Mar 3, 2021 by susilehtola Loading…
1
Split general contractions into blocks whenever possible
#199 opened Feb 26, 2021 by susilehtola Loading…
1
WIP: Implement def2-mTZVP and def2-mTZVPP
#197 opened Feb 25, 2021 by susilehtola Loading…
1
4
WIP: Add basic MINIX basis
#129 opened Nov 4, 2020 by susilehtola Loading…
1
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