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SAPT0-D3MBJ (error writing to file)?
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|
5
|
642
|
May 10, 2022
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SAPT calculation input file from Gaussian .log file
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|
4
|
1105
|
March 16, 2022
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|
S^2 approximation in SAPT induction
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2
|
479
|
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
|
870
|
January 13, 2022
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Basis set recommendation for the SAPT(DFT) method
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|
2
|
552
|
November 26, 2021
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|
SCF Convergence
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0
|
451
|
November 10, 2021
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Psi4, output .wfx file from SAPT
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2
|
574
|
October 20, 2021
|
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GRAC shift calculation clarification for SAPT-DFT
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3
|
998
|
September 29, 2021
|
|
Memory problem in SAPT calculation
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|
2
|
565
|
August 26, 2021
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|
Is SAPT2+ supported via psi4.sapt()?
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|
1
|
523
|
July 26, 2021
|
|
Fsapt.py crashes
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7
|
823
|
July 7, 2021
|
|
Force between atoms by SAPT
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|
3
|
746
|
July 1, 2021
|
|
Question about sapt
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|
0
|
549
|
June 28, 2021
|
|
SAPT level suitable for halogenated molecules
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|
6
|
696
|
June 25, 2021
|
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Huge induction energy in FI-SAPT0
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|
3
|
948
|
April 10, 2021
|
|
Quesionts about fisapt0 input
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|
3
|
667
|
June 6, 2021
|
|
Psi4 SAPT0 calculation was interrupted without error message
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|
5
|
658
|
April 2, 2021
|
|
SAPT0 crashed without error message
|
|
2
|
590
|
March 29, 2021
|
|
SAPT - computing time questions
|
|
5
|
996
|
March 11, 2021
|
|
RuntimeError SAPT Calculation in a cluster
|
|
10
|
1023
|
March 4, 2021
|
|
FI-SAPT for Radicals
|
|
1
|
474
|
March 3, 2021
|
|
A question about Psi4 Input file
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|
5
|
1174
|
February 17, 2021
|
|
How to perform A-SAPT?
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|
2
|
735
|
February 1, 2021
|
|
Calculation of the interaction energy by the fi-sapt method
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|
9
|
1533
|
March 14, 2021
|
|
Regarding SAPT Calculation in Psi4
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|
2
|
1081
|
January 8, 2021
|
|
SAPT_DFT segmentation error
|
|
6
|
888
|
December 1, 2020
|
|
PSI SAP0 Calculation -- ignore delta-HF calculations
|
|
1
|
577
|
November 19, 2020
|
|
Basis set SAPT0
|
|
3
|
717
|
November 17, 2020
|
|
PSI4 Error in memory
|
|
9
|
2362
|
October 13, 2020
|
|
Problem with SAPT calculations for platinum complexes
|
|
11
|
1138
|
October 7, 2020
|