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Installing from source code for Mac silicon
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5
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513
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November 9, 2023
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EOM-CC3 calculation
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2
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319
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November 7, 2023
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EOM-CC3 calculation of triplet excited state
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2
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458
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November 6, 2023
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Restarting DFT calculation from DF electron density
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2
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251
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November 2, 2023
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Undefined CCEOM variables
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3
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316
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November 1, 2023
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Two-particle density matrix from full CCSD(T) calculation
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17
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825
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October 30, 2023
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Force acting on each atom
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1
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278
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October 17, 2023
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Loading density matrix in SAPT calculation
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3
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361
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October 14, 2023
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Maximum memory required for a job
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2
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586
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October 10, 2023
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Change the point group when sulfur hexafluoride is optimized
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4
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413
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October 9, 2023
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Getting individual orbital energies of atoms
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1
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404
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October 5, 2023
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Some Questions in Exploring Novel Metal-Bioorganic Interactions using SAPT Analysis in Psi4
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0
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367
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September 26, 2023
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Maximum Dynamic Level Reached for Certain Conformers
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2
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635
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September 25, 2023
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Natural Population Analysis in PSI4
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0
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384
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September 24, 2023
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Write molden wavefunction after pcm
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0
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283
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September 23, 2023
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Resonance Structures and Input File
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7
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478
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November 12, 2023
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Web page issue problem
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4
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370
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September 13, 2023
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How can I project the Gaussian functions onto a basis of atomic orbitals?
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1
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343
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September 12, 2023
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Energy window / orbital selection in tddft
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3
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355
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September 8, 2023
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How can I parse output file after the calculation finishes?
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3
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376
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November 7, 2023
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Job ends with error "timed out after 30 seconds"
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0
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354
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September 8, 2023
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Job ended without warning
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0
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336
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September 8, 2023
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Navigating exotic electronic states with DOCC and SOCC
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1
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334
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September 8, 2023
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Freezing corrdinates of fragments, image charge correction
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0
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272
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September 1, 2023
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PCM solver issue on Windows
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3
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402
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October 29, 2023
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Error using SAPT0-D3 and SAPT0-D3MBJ
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3
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444
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October 28, 2023
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ADIIS minimization failed. File a bug, and include your entire input and output ! ! files
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10
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675
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August 25, 2023
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Installing Psi4 for Mac silicon from source
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4
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669
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August 23, 2023
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Ghost atoms in SAPT
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5
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1622
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August 22, 2023
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Error while running QM optimization on bonded parameter PSIO_ERROR: unit = 1, errval = 6
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3
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463
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August 22, 2023
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