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Memory problem in SAPT calculation
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|
2
|
454
|
August 26, 2021
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|
Is SAPT2+ supported via psi4.sapt()?
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1
|
410
|
July 26, 2021
|
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Fsapt.py crashes
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7
|
605
|
July 7, 2021
|
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Force between atoms by SAPT
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3
|
585
|
July 1, 2021
|
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Question about sapt
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0
|
467
|
June 28, 2021
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SAPT level suitable for halogenated molecules
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6
|
528
|
June 25, 2021
|
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Huge induction energy in FI-SAPT0
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|
3
|
708
|
April 10, 2021
|
|
Quesionts about fisapt0 input
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|
3
|
556
|
June 6, 2021
|
|
Psi4 SAPT0 calculation was interrupted without error message
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|
5
|
566
|
April 2, 2021
|
|
SAPT0 crashed without error message
|
|
2
|
470
|
March 29, 2021
|
|
SAPT - computing time questions
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|
5
|
738
|
March 11, 2021
|
|
RuntimeError SAPT Calculation in a cluster
|
|
10
|
798
|
March 4, 2021
|
|
FI-SAPT for Radicals
|
|
1
|
392
|
March 3, 2021
|
|
A question about Psi4 Input file
|
|
5
|
820
|
February 17, 2021
|
|
How to perform A-SAPT?
|
|
2
|
629
|
February 1, 2021
|
|
Calculation of the interaction energy by the fi-sapt method
|
|
9
|
1167
|
March 14, 2021
|
|
Regarding SAPT Calculation in Psi4
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|
2
|
863
|
January 8, 2021
|
|
SAPT_DFT segmentation error
|
|
6
|
769
|
December 1, 2020
|
|
PSI SAP0 Calculation -- ignore delta-HF calculations
|
|
1
|
446
|
November 19, 2020
|
|
Basis set SAPT0
|
|
3
|
519
|
November 17, 2020
|
|
PSI4 Error in memory
|
|
9
|
1788
|
October 13, 2020
|
|
Problem with SAPT calculations for platinum complexes
|
|
11
|
919
|
October 7, 2020
|
|
The calculation of SAPT2+ fail, Fatal Error: PSIO Error
|
|
8
|
1375
|
October 7, 2020
|
|
SAPT2+(3)dMP2 unspecified charge
|
|
2
|
536
|
October 3, 2020
|
|
Error in Rigid SAPT(0) Scan using Z-Matrix
|
|
9
|
581
|
November 6, 2020
|
|
SAPT(0) Calculation for transition metal interaction
|
|
3
|
981
|
August 13, 2020
|
|
Comparison of charge transfer energy according to SAPT0 with NBO
|
|
3
|
678
|
September 20, 2020
|
|
Calculating the first order electrostatic energy in the monomer basis using Psi4Numpy
|
|
4
|
674
|
July 14, 2020
|
|
Is there any wrong with the calculation about SAPT?Thank you for your help!
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|
2
|
753
|
July 11, 2020
|
|
Question about SAPT's energy contributions
|
|
3
|
820
|
July 1, 2020
|