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Pull requests: psi4/psi4
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remove old dftd3 and gcp interfaces
external-interface
For issues about interfaces with external programs: ADCC, CheMPS2, GDMA, MRCC...
Split JK gradient algorithms to separate files
#3297
opened May 25, 2025 by
philipmnel
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5 tasks done
tidy and document QCVariables intf, throw conv err geometric
#3295
opened May 24, 2025 by
loriab
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8 of 11 tasks
Alternate way to add an arbitrary potential to an SCF calculation
#3243
opened Nov 8, 2024 by
johnppederson
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6 of 8 tasks
Rewrite For issues where the goal is to make Psi4 a little cleaner.
detci
For issues with the DETCI module.
libmints
For things that are wrong with libmints (but not wavefunction).
ras_set
cleanup
QCManyBody in DDD
bug
driver
For issues that are specifically about Psi's driver.
external-interface
For issues about interfaces with external programs: ADCC, CheMPS2, GDMA, MRCC...
schema
deploys or develops MolSSI/QCSchema
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