Comments (1)
Thanks for your interest in Psi4+BrianQC. The second forum post you linked was a little too optimistic, so there isn't a way I know to use a binary download of Psi4 with BrianQC, even with a license. I don't know for sure, but I think BrianQC is Linux only. At one point the BrianQC ppl had an cloud instance of Psi4+BrianQC, but that doesn't look active now. From their website, their Dec 2023 release works with Psi4 v1.6. If you're not accustomed to compiling code, you might ask the BrianQC people about a cloud setup.
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Related Issues (20)
- Frequency Calculations Are Slow or Time Consuming HOT 4
- psi4 fails when conda installed in symlinked directory HOT 4
- How to specifiy response properties in qcschema jobs
- Gallium Excitations
- Strange MBIS charges for molecules with Iodine when using DDX and def2-TZVPPD basis HOT 4
- Potential bug in sad.cc: definition of pseudo-orbitals HOT 1
- MBIS core and valence charges
- SAPT(DFT) might forget about freezing core
- psi4 1.9.1 is currently incompatible with `main` version of libint (2.9.0) HOT 5
- Memory leak when returning wfn in 1.8.1 HOT 1
- Using external potential in python broken in case of Angstrom units
- X2C analytic gradients removed? HOT 4
- Psi4 Test Failing HOT 1
- Floating point division by zero when running SAPT with H+ as a compound HOT 3
- MRCC interface is not working HOT 9
- WB97M-D3BJ total XC analytical gradient is not zero (almost 0.2 kcal/mol/A) and different from the numerical gradient HOT 4
- Docs: Add note to use psi4.core.clean after calculations
- CPU and memory in MRCC interface HOT 2
- option to freeze all rotatable bonds during geometry optimization [feature request]
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