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Regarding SAPT Calculation in Psi4
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2
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1124
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January 8, 2021
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SAPT_DFT segmentation error
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6
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918
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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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587
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November 19, 2020
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Basis set SAPT0
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3
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735
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November 17, 2020
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PSI4 Error in memory
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9
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2446
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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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1150
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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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1740
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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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643
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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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734
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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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1242
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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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812
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September 20, 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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932
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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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1091
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July 1, 2020
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SAPT0 calculation with ZORA for platinum metal complexes
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4
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1204
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August 27, 2020
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Error in SAPT calculation
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13
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925
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June 17, 2020
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SCF doesn't convergence
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6
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1993
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August 10, 2020
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Wrong with energy decomposition
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7
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1307
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August 9, 2020
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Publication of SAPT module
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3
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590
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May 22, 2020
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F-SAPT fatal error: DFHelper:put_tensor: write error
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1
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1109
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May 21, 2020
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FSAPT Error: A, B, and C are bonded?! 3c-2e bonds are not cool
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2
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629
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May 2, 2020
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Error for sapt dmp2 calculation
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7
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849
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April 22, 2020
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When I used psi4 for sapt calculation, the calculation was interrupted?
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9
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3812
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April 6, 2020
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SAPT0 with bsse_type=['cp'] is not working
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7
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1018
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March 30, 2020
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How does Psi4 accelerate the convergence of the CPHF equations in the computation of E20indr?
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4
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735
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April 5, 2020
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sSAPT0 issues: out of disk
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5
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7124
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January 21, 2020
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SAPT (DFT) m062x
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3
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1538
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November 20, 2019
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SAPT PSIO Error - Scratch to Blame?
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2
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977
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January 13, 2020
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Unbelievable induction energy in SAPT0
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4
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963
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November 4, 2019
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Fatal Error: A Matrix is not SPD
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9
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2572
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December 28, 2019
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Troubles in SAPT calculation
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1
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690
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October 28, 2019
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