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Installation on Mac OS Silico: s-dftd3 not registered
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2
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342
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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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328
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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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261
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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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369
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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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434
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May 9, 2023
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ESP, Electronic Density, and Hirshfeld Surfaces
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0
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234
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May 6, 2023
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Optimisation followed with dimer trajectory
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10
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325
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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
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567
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May 4, 2023
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SCF iterations do not converge in 2000 iterations
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20
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409
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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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277
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May 3, 2023
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S-dftd3 for psi4
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2
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342
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May 3, 2023
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Unrecognized point group bits
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23
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351
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May 2, 2023
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SIGSEGV, segmentation fault occured during transition state search
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5
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441
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May 1, 2023
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Defining frozen core settings in Psi4 for a composite scheme
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1
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226
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April 25, 2023
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Psi4 Takes too Long to Save Computation Results to Python Notebook
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4
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227
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April 24, 2023
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psi4.core.NumIntHelper - how to use?
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9
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392
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April 23, 2023
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DETCI seg fault when asking for the two-particle density matrix
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0
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189
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April 20, 2023
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Proper installation of the skipped and failed modules
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1
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249
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April 17, 2023
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Out of memory using PCM model: Geom. optimization of lithiated ethylene carbonate
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2
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341
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April 15, 2023
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Optking Opt_coordinates: Both query
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4
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255
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April 14, 2023
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Issues with IRC calculations following a frequency calculations
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8
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482
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April 11, 2023
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Nvc++ compiler from nvidia hpc sdk
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1
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489
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April 5, 2023
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Error in eom-cc2 calculation - huge scratch
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4
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273
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April 3, 2023
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FROZEN_DISTANCE command - still working?
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11
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422
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March 31, 2023
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Indexing at 0 or 1 for GeomeTRIC integration
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2
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261
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March 30, 2023
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Using existing JK object in psi4numpy
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2
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240
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March 29, 2023
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WFN not saved from a frequency calculation
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0
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239
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March 29, 2023
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Memory/Core effect on reproducing calculations to higher precision
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2
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213
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March 27, 2023
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How to pass an array in Psi4 plugin development?
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1
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207
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March 27, 2023
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Frequency calculation extremely slow
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7
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473
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May 24, 2023
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