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About the SAPT category
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0
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718
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March 30, 2019
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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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40
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September 26, 2023
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Error using SAPT0-D3 and SAPT0-D3MBJ
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2
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83
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August 29, 2023
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Ghost atoms in SAPT
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5
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803
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August 22, 2023
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Input for SAPT0
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1
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72
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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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234
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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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95
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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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158
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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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103
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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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134
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May 19, 2023
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Annoying problem with SAPT
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3
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338
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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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228
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November 4, 2022
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Too large scratch file
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6
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295
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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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241
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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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476
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September 27, 2022
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Calculating INTRAmolecular SAPT
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3
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311
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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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1821
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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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1043
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August 5, 2022
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SAPT-REVSCAN is possible?
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0
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225
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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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446
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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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558
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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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325
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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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525
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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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368
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November 26, 2021
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SCF Convergence
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0
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314
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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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407
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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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682
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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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421
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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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382
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July 26, 2021
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Fsapt.py crashes
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7
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573
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July 7, 2021
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