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About the SAPT category
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0
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965
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March 30, 2019
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SAPT with external point charges
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0
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57
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June 8, 2025
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FSAPT requires a lot more memory than estimate
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0
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80
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April 2, 2025
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Segmentation fault in fisapt when using DFDirJ+CosX
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0
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35
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March 19, 2025
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Def2-universal-jkfit and def2-tzvpp-ri bases?
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0
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64
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March 1, 2025
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Investigating a chalcogen interaction with i-sapt
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0
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58
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February 15, 2025
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Error when using psi4/resp: Fatal Error: RHF: RHF reference is only for singlets
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1
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99
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February 13, 2025
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Calculating the first order electrostatic energy in the monomer basis using Psi4Numpy
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5
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872
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December 28, 2024
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Is it required to run fsapt.py after FISAPT
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0
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48
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October 8, 2024
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SAPT for open shell fragments
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6
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148
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August 23, 2024
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SAPT electrostatics concerns
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1
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231
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April 29, 2024
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About the validity of SAPT0 with a "discontinuous" monomer
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0
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232
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February 22, 2024
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Excited sapt calculation
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0
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236
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January 30, 2024
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SAPT for Macroheterocycle - Phenyl interactions connected via -Al-O- linker
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0
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209
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January 29, 2024
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SAPT on windows platform
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0
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302
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December 5, 2023
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FSAPT calculations for cucurbiy[7]uryl complex with L-DOPA
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3
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322
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November 9, 2023
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Force acting on each atom
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1
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255
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October 17, 2023
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Loading density matrix in SAPT calculation
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3
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314
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October 14, 2023
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Some Questions in Exploring Novel Metal-Bioorganic Interactions using SAPT Analysis in Psi4
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0
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319
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September 26, 2023
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Error using SAPT0-D3 and SAPT0-D3MBJ
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3
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396
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October 28, 2023
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Ghost atoms in SAPT
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5
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1561
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August 22, 2023
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Input for SAPT0
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1
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454
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August 14, 2023
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Installing PSI4 in native Windows
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14
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716
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August 11, 2023
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How to continue a SAPT0 calculation?
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1
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311
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June 26, 2023
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Python Syntax Error in F-SAPT Process
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5
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410
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June 21, 2023
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SAPT0 calculation crashes pointer error
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2
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339
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June 21, 2023
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Private youtube link in manual
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2
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335
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May 19, 2023
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Annoying problem with SAPT
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3
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587
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January 10, 2023
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Different definitions of GRAC shift in the manual and other sources
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0
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462
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November 4, 2022
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Too large scratch file
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6
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556
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September 28, 2022
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