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Pull requests: MolSSI/QCEngine

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Pull requests list

test CI with changelog alone
#449 opened May 7, 2024 by loriab Loading…
2 tasks
Add QCManyBody and GenOptKing harnesses
#448 opened May 2, 2024 by loriab Loading…
2 tasks
11
Use Bohr in gcp
#438 opened Dec 1, 2023 by loriab Loading…
2 tasks
1
gamess efmo
#437 opened Nov 1, 2023 by loriab • Draft
2 tasks
1
extra inputs and output for psi4
#436 opened Oct 31, 2023 by loriab Loading…
2 tasks
1
Pydantic2 and MBE procedure
#432 opened Oct 9, 2023 by loriab • Draft
2 tasks
1
pydantic v2 api
#425 opened Aug 13, 2023 by loriab Loading…
2 tasks
2
gamess memory changes
#421 opened Aug 8, 2023 by loriab Loading…
2 tasks
7
nwchem: collect scf dipole
#413 opened Jul 31, 2023 by loriab Loading…
2 tasks
1
efp: start pylibefp interface
#144 opened Aug 28, 2019 by loriab Loading…
1 task
6
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