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Cannot access MO ERI of heavy atoms in large basis set
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3
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340
|
June 12, 2023
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Gdma and libint2 version compatibility
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3
|
461
|
June 12, 2023
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Psi4 MACOS Silicon Download Problem?
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4
|
404
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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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791
|
May 16, 2023
|
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Geometry optimization
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2
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494
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June 6, 2023
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Wavefunction for a monoatomic molecule
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|
10
|
464
|
July 31, 2023
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Optimization problem for an NO moleclue
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7
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385
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May 30, 2023
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Convergence problem
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1
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367
|
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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490
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May 23, 2023
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BasisSetNotFound, how should I avoid it
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4
|
636
|
May 22, 2023
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Private youtube link in manual
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2
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381
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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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541
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May 18, 2023
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Problems with running PCM - IEFPCM
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|
2
|
690
|
May 9, 2023
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ESP, Electronic Density, and Hirshfeld Surfaces
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0
|
302
|
May 6, 2023
|
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Optimisation followed with dimer trajectory
|
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10
|
527
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July 4, 2023
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Fatal Error: Cannot set element X since there are only X elements
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|
20
|
903
|
May 4, 2023
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SCF iterations do not converge in 2000 iterations
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20
|
616
|
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
|
555
|
May 3, 2023
|
|
S-dftd3 for psi4
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2
|
760
|
May 3, 2023
|
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Unrecognized point group bits
|
|
23
|
632
|
May 2, 2023
|
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SIGSEGV, segmentation fault occured during transition state search
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5
|
636
|
May 1, 2023
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Defining frozen core settings in Psi4 for a composite scheme
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1
|
316
|
April 25, 2023
|
|
Psi4 Takes too Long to Save Computation Results to Python Notebook
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4
|
343
|
April 24, 2023
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psi4.core.NumIntHelper - how to use?
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|
9
|
588
|
April 23, 2023
|
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DETCI seg fault when asking for the two-particle density matrix
|
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0
|
242
|
April 20, 2023
|
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Proper installation of the skipped and failed modules
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|
1
|
337
|
April 17, 2023
|
|
Optking Opt_coordinates: Both query
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4
|
365
|
April 14, 2023
|
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Issues with IRC calculations following a frequency calculations
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|
8
|
807
|
April 11, 2023
|
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Nvc++ compiler from nvidia hpc sdk
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1
|
697
|
April 5, 2023
|
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Error in eom-cc2 calculation - huge scratch
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|
4
|
398
|
April 3, 2023
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