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FI-SAPT for Radicals
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1
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320
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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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592
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February 17, 2021
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Ghost atoms in SAPT
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4
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621
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February 4, 2021
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How to perform A-SAPT?
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2
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505
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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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875
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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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710
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January 8, 2021
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SAPT_DFT segmentation error
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6
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602
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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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359
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November 19, 2020
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Basis set SAPT0
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3
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414
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November 17, 2020
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PSI4 Error in memory
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9
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1425
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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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731
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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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1124
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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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444
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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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435
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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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749
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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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544
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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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515
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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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570
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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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638
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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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751
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August 27, 2020
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Error in SAPT calculation
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13
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595
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June 17, 2020
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SCF doesn't convergence
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6
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1039
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August 10, 2020
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Wrong with energy decomposition
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7
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799
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August 9, 2020
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Publication of SAPT module
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3
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428
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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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726
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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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470
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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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618
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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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3385
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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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697
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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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544
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April 5, 2020
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