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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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740
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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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490
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November 26, 2021
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SCF Convergence
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0
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416
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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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530
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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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857
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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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517
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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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491
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July 26, 2021
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Fsapt.py crashes
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7
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701
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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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671
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July 1, 2021
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Question about sapt
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0
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513
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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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614
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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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837
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April 10, 2021
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Quesionts about fisapt0 input
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3
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624
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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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617
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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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534
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March 29, 2021
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SAPT - computing time questions
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5
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891
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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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935
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March 4, 2021
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FI-SAPT for Radicals
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1
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438
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March 3, 2021
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A question about Psi4 Input file
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5
|
1029
|
February 17, 2021
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How to perform A-SAPT?
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2
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698
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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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1353
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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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977
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January 8, 2021
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SAPT_DFT segmentation error
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6
|
844
|
December 1, 2020
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PSI SAP0 Calculation -- ignore delta-HF calculations
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1
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514
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November 19, 2020
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Basis set SAPT0
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3
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619
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November 17, 2020
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PSI4 Error in memory
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9
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2096
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October 13, 2020
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Problem with SAPT calculations for platinum complexes
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11
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1038
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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
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1604
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October 7, 2020
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SAPT2+(3)dMP2 unspecified charge
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2
|
596
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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
|
677
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November 6, 2020
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