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Getting syntax error in sapt charge transfer input file
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Uncategorized
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(2)
Iterations do not converge
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(13)
Using internal functions of PCMsolver from psi4 (getting surface functions)
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(4)
Optking assign Fe to S in Writing optimization data to binary file step
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(3)
Build high angular moment(>7) psi4 with conda error
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build
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(2)
PSIO Error SAPT Calculation
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(2)
Basis set Assignment problem
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(2)
Getting normal modes from a harmonic vibrational analysis
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(4)
Instantiating a Molecue object from actual Python data
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(3)
Exchange Energy Term in SAPT calculation
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(7)
PCMSolver Fatal Error: PSIO Error
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(4)
B3LYP and MP2 is in the same sapt2 calculation?
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(2)
Build failed at libxc_external
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build
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(4)
Coordinates do not change
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(3)
Installation query
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build
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(2)
Running SAPT jobs in loops
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(1)
Psi printing level
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(2)
No basis set found
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(2)
Printing results
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(1)
Approximate Total Time for SAPT2+3
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(2)
Threading on Mac
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(15)
Job running in multiple threads
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(2)
My jobs didn't finish and stopped running
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(1)
Running psi4 as root
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build
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(9)
Scf level shift?
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feature-request
]
(6)
Segfault projecting wfn onto new basis
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(2)
Psithon Table Usage
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(5)
Nomal mode molden file
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(3)
Nightly update from fresh install leads to undefined symbol: __svml_sin4
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(4)
Using core Hamiltonian from previous calculation
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(3)
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