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psi4.core.VBase and nblocks() issue
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0
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164
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July 13, 2023
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Psi4 from the beginning
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3
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245
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July 12, 2023
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Sign convention for dipole moment in Psi4 (expectation value vs finite-field method)
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3
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296
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September 1, 2023
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Energy calculation using CCSD
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3
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287
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July 2, 2023
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PSI4/Optking Timeout
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4
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320
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June 30, 2023
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AttributeError: 'psi4.core.RHF' object has no attribute 'set_PCM'
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0
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223
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June 30, 2023
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Reusage of geometry information
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1
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273
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June 26, 2023
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Regarding g_convergence in optimisation
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1
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217
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June 26, 2023
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How to continue a SAPT0 calculation?
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1
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217
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June 26, 2023
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CASSCF - nan values
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0
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173
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June 25, 2023
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Python Syntax Error in F-SAPT Process
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5
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328
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June 21, 2023
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SAPT0 calculation crashes pointer error
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2
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240
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June 21, 2023
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Psi4 doesn't run the optimization
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2
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406
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June 19, 2023
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Psi4 clean + scratch space
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0
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241
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June 19, 2023
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Several way to get wavefunction?
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3
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198
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August 16, 2023
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Geometry Optimisation with CCSD
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9
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424
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June 16, 2023
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Possible performance regression with Coupled-DIIS in closed-shell OO-MP3 between 1.6 and 1.7
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2
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164
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June 15, 2023
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Cannot access MO ERI of heavy atoms in large basis set
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3
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223
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June 12, 2023
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Gdma and libint2 version compatibility
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3
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282
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June 12, 2023
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Psi4 MACOS Silicon Download Problem?
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4
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297
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June 8, 2023
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Installing Psi4 on MacBook Air Apple M1 Ventura 13.1 Problem?
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9
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528
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May 16, 2023
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Geometry optimization
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2
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338
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June 6, 2023
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Wavefunction for a monoatomic molecule
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10
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321
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July 31, 2023
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Optimization problem for an NO moleclue
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7
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244
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May 30, 2023
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Convergence problem
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1
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252
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May 23, 2023
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Installation on Mac OS Silico: s-dftd3 not registered
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2
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328
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May 23, 2023
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BasisSetNotFound, how should I avoid it
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4
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318
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May 22, 2023
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Private youtube link in manual
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2
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252
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May 19, 2023
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Calculation bond energy using psi4
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2
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356
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May 18, 2023
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Problems with running PCM - IEFPCM
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2
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412
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May 9, 2023
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