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About the SAPT category
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0
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493
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March 30, 2019
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FISAPT youtube tutorial locked - fragmenting problem
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0
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53
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May 10, 2022
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SAPT0-D3MBJ (error writing to file)?
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4
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68
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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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97
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March 16, 2022
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Sapt0 for a open-shell system (uhf) occur error
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0
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86
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March 10, 2022
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S^2 approximation in SAPT induction
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2
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103
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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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123
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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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173
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November 26, 2021
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SCF Convergence
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0
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124
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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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149
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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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277
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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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204
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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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189
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July 26, 2021
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Fsapt.py crashes
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7
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223
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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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259
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July 1, 2021
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Question about sapt
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0
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231
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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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247
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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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300
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April 10, 2021
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Quesionts about fisapt0 input
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3
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285
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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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271
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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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243
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March 29, 2021
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SAPT - computing time questions
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5
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380
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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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314
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March 4, 2021
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FI-SAPT for Radicals
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1
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208
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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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334
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February 17, 2021
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Ghost atoms in SAPT
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4
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366
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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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375
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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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576
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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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528
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January 8, 2021
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SAPT_DFT segmentation error
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6
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391
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December 1, 2020
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