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Math libraries for AMD CPUs in Psi4
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2
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295
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December 12, 2022
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Psi4 1.5/psi4 1.0
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0
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256
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November 28, 2022
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Enforcing Symmetry for Dissociated Molecules
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5
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445
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November 11, 2022
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Is my setting of parallelization correct?
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2
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331
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November 2, 2022
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Psi4 Optking logging to chosen output files
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4
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472
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November 2, 2022
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Installing Psi4 on Windows 10 - The file input.dat does not exist
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5
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526
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November 1, 2022
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Is that possible to decontract user defined basis set automatically?
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2
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254
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November 1, 2022
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Psi4 installation
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14
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1952
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October 28, 2022
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Atom indexes of density matrix
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2
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348
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October 28, 2022
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Accuracies for uncontracted vs larger-zeta auxillary basis in two-component calculations
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2
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248
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October 26, 2022
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User-defined basis in two-component calculations leads to "'NoneType' object has no attribute 'lower' "
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6
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368
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December 25, 2022
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How to print out basis set information?
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3
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437
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December 24, 2022
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SAPT0 read error
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7
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309
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October 24, 2022
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Are the calculated wavefunctions normalized?
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8
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425
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December 23, 2022
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How to get TDSCF's wavefunction?
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3
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267
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October 24, 2022
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Psi4 .xyz reading/writing
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5
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553
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October 18, 2022
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How can I simulate VCD spectra at DFT level?
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8
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391
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October 7, 2022
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Unable to install psi4 on windows
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1
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300
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October 5, 2022
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Setting DFT integration grid based on atom identity
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5
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358
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September 30, 2022
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How to obtain the solid formation of atomic orbitals
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19
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665
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September 26, 2022
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Is that possible to turn off density fitting in MP2 calculation?
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3
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357
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November 23, 2022
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Polarizability Calculation Not Converging
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3
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265
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September 20, 2022
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Data to plot XAS spectra from psixas calculations
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0
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268
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September 13, 2022
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Installation issue with psi4 in a Mac to get Forte running
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11
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387
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September 12, 2022
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Creating custom basis set direct from python
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0
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341
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September 8, 2022
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Issue installing psi4 from source
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8
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462
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September 5, 2022
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DFT calculations without density fitting
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1
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324
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August 30, 2022
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Defining charge, multiciplity for fragments in FI-SAPT0 calculations
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0
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265
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August 12, 2022
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Get R amplitudes an in CCEOM
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5
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374
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August 12, 2022
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Fatal Error: PsiOutStream: Failed to open file
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2
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344
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August 9, 2022
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