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How to use 6-31+g(d,p) basis set in SAPT2 calculation of cobalt complexes in psi4?
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3
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727
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January 13, 2022
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Basis set recommendation for the SAPT(DFT) method
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2
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480
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November 26, 2021
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SCF Convergence
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0
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412
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November 10, 2021
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Psi4, output .wfx file from SAPT
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2
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526
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October 20, 2021
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GRAC shift calculation clarification for SAPT-DFT
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3
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847
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September 29, 2021
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Memory problem in SAPT calculation
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2
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509
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August 26, 2021
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Is SAPT2+ supported via psi4.sapt()?
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1
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487
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July 26, 2021
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Fsapt.py crashes
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7
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684
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July 7, 2021
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Force between atoms by SAPT
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3
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661
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July 1, 2021
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Question about sapt
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0
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507
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June 28, 2021
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SAPT level suitable for halogenated molecules
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6
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602
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June 25, 2021
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Huge induction energy in FI-SAPT0
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3
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822
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April 10, 2021
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Quesionts about fisapt0 input
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3
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616
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June 6, 2021
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Psi4 SAPT0 calculation was interrupted without error message
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5
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613
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April 2, 2021
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SAPT0 crashed without error message
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2
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529
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March 29, 2021
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SAPT - computing time questions
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5
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877
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March 11, 2021
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RuntimeError SAPT Calculation in a cluster
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10
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921
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March 4, 2021
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FI-SAPT for Radicals
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1
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435
|
March 3, 2021
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A question about Psi4 Input file
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5
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1012
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February 17, 2021
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How to perform A-SAPT?
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2
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692
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February 1, 2021
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Calculation of the interaction energy by the fi-sapt method
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9
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1338
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March 14, 2021
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Regarding SAPT Calculation in Psi4
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2
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970
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January 8, 2021
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SAPT_DFT segmentation error
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6
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837
|
December 1, 2020
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PSI SAP0 Calculation -- ignore delta-HF calculations
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1
|
508
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November 19, 2020
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Basis set SAPT0
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3
|
611
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November 17, 2020
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PSI4 Error in memory
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9
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2074
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October 13, 2020
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Problem with SAPT calculations for platinum complexes
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11
|
1028
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October 7, 2020
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The calculation of SAPT2+ fail, Fatal Error: PSIO Error
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8
|
1590
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October 7, 2020
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SAPT2+(3)dMP2 unspecified charge
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2
|
591
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October 3, 2020
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Error in Rigid SAPT(0) Scan using Z-Matrix
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9
|
666
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November 6, 2020
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