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About the SAPT category
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0
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626
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March 30, 2019
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Annoying problem with SAPT
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3
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202
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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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135
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November 4, 2022
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Too large scratch file
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6
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201
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September 28, 2022
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SAPT EDA Memory Error (Suuplied memory less than required memory)
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1
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158
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September 27, 2022
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Sapt0 for a open-shell system (uhf) occur error
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1
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335
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September 27, 2022
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Calculating INTRAmolecular SAPT
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3
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212
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September 2, 2022
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**Fatal Error: SCF::DF: Disk based algorithm requires
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6
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1680
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August 15, 2022
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What do the cube-files in I-SAPT visualize?
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10
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855
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August 5, 2022
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SAPT-REVSCAN is possible?
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0
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157
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June 13, 2022
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SAPT0-D3MBJ (error writing to file)?
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5
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333
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May 10, 2022
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SAPT calculation input file from Gaussian .log file
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4
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338
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March 16, 2022
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S^2 approximation in SAPT induction
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2
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271
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February 14, 2022
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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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389
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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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304
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November 26, 2021
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SCF Convergence
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0
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246
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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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318
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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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543
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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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345
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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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310
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July 26, 2021
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Fsapt.py crashes
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7
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410
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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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456
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July 1, 2021
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Question about sapt
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0
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359
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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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405
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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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471
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April 10, 2021
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Quesionts about fisapt0 input
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3
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436
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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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423
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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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357
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March 29, 2021
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SAPT - computing time questions
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5
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577
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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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575
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March 4, 2021
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