Memory problem in SAPT calculation
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2
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454
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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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410
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July 26, 2021
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Fsapt.py crashes
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7
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605
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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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585
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July 1, 2021
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Question about sapt
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0
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467
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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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528
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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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708
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April 10, 2021
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Quesionts about fisapt0 input
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3
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556
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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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566
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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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470
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March 29, 2021
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SAPT - computing time questions
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5
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738
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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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798
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March 4, 2021
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FI-SAPT for Radicals
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1
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392
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March 3, 2021
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A question about Psi4 Input file
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5
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820
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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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629
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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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1167
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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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863
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January 8, 2021
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SAPT_DFT segmentation error
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6
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769
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December 1, 2020
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PSI SAP0 Calculation -- ignore delta-HF calculations
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1
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446
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November 19, 2020
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Basis set SAPT0
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3
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519
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November 17, 2020
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PSI4 Error in memory
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9
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1788
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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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919
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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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1375
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October 7, 2020
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SAPT2+(3)dMP2 unspecified charge
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2
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536
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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
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581
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November 6, 2020
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SAPT(0) Calculation for transition metal interaction
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3
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981
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August 13, 2020
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Comparison of charge transfer energy according to SAPT0 with NBO
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3
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678
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September 20, 2020
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Calculating the first order electrostatic energy in the monomer basis using Psi4Numpy
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4
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674
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July 14, 2020
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Is there any wrong with the calculation about SAPT?Thank you for your help!
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2
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753
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July 11, 2020
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Question about SAPT's energy contributions
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3
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820
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July 1, 2020
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