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AttributeError: 'psi4.core.RHF' object has no attribute 'set_PCM'
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0
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223
|
June 30, 2023
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Reusage of geometry information
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1
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273
|
June 26, 2023
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CASSCF - nan values
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0
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173
|
June 25, 2023
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Psi4 clean + scratch space
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0
|
241
|
June 19, 2023
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Several way to get wavefunction?
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3
|
198
|
August 16, 2023
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Geometry Optimisation with CCSD
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9
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424
|
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
|
June 15, 2023
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Cannot access MO ERI of heavy atoms in large basis set
|
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3
|
223
|
June 12, 2023
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Psi4 MACOS Silicon Download Problem?
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4
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297
|
June 8, 2023
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Wavefunction for a monoatomic molecule
|
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10
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321
|
July 31, 2023
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Optimization problem for an NO moleclue
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7
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243
|
May 30, 2023
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BasisSetNotFound, how should I avoid it
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4
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318
|
May 22, 2023
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Calculation bond energy using psi4
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2
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356
|
May 18, 2023
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Problems with running PCM - IEFPCM
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2
|
412
|
May 9, 2023
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ESP, Electronic Density, and Hirshfeld Surfaces
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0
|
223
|
May 6, 2023
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Fatal Error: Cannot set element X since there are only X elements
|
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20
|
541
|
May 4, 2023
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SCF iterations do not converge in 2000 iterations
|
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20
|
394
|
May 4, 2023
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How to set auxiliary Basis set to go with custom 6-311+G**
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3
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265
|
May 3, 2023
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S-dftd3 for psi4
|
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2
|
332
|
May 3, 2023
|
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Unrecognized point group bits
|
|
23
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341
|
May 2, 2023
|
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Psi4 Takes too Long to Save Computation Results to Python Notebook
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4
|
217
|
April 24, 2023
|
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psi4.core.NumIntHelper - how to use?
|
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9
|
386
|
April 23, 2023
|
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DETCI seg fault when asking for the two-particle density matrix
|
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0
|
185
|
April 20, 2023
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Proper installation of the skipped and failed modules
|
|
1
|
242
|
April 17, 2023
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Optking Opt_coordinates: Both query
|
|
4
|
250
|
April 14, 2023
|
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Nvc++ compiler from nvidia hpc sdk
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1
|
472
|
April 5, 2023
|
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Error in eom-cc2 calculation - huge scratch
|
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4
|
267
|
April 3, 2023
|
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FROZEN_DISTANCE command - still working?
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|
11
|
409
|
March 31, 2023
|
|
Using existing JK object in psi4numpy
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|
2
|
228
|
March 29, 2023
|
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WFN not saved from a frequency calculation
|
|
0
|
230
|
March 29, 2023
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