|
About the SAPT category
|
|
0
|
597
|
March 30, 2019
|
|
Annoying problem with SAPT
|
|
3
|
142
|
January 10, 2023
|
|
Different definitions of GRAC shift in the manual and other sources
|
|
0
|
78
|
November 4, 2022
|
|
Too large scratch file
|
|
6
|
152
|
September 28, 2022
|
|
SAPT EDA Memory Error (Suuplied memory less than required memory)
|
|
1
|
115
|
September 27, 2022
|
|
Sapt0 for a open-shell system (uhf) occur error
|
|
1
|
263
|
September 27, 2022
|
|
Calculating INTRAmolecular SAPT
|
|
3
|
170
|
September 2, 2022
|
|
**Fatal Error: SCF::DF: Disk based algorithm requires
|
|
6
|
1613
|
August 15, 2022
|
|
What do the cube-files in I-SAPT visualize?
|
|
10
|
807
|
August 5, 2022
|
|
SAPT-REVSCAN is possible?
|
|
0
|
129
|
June 13, 2022
|
|
SAPT0-D3MBJ (error writing to file)?
|
|
5
|
293
|
May 10, 2022
|
|
SAPT calculation input file from Gaussian .log file
|
|
4
|
277
|
March 16, 2022
|
|
S^2 approximation in SAPT induction
|
|
2
|
250
|
February 14, 2022
|
|
How to use 6-31+g(d,p) basis set in SAPT2 calculation of cobalt complexes in psi4?
|
|
3
|
326
|
January 13, 2022
|
|
Basis set recommendation for the SAPT(DFT) method
|
|
2
|
274
|
November 26, 2021
|
|
SCF Convergence
|
|
0
|
230
|
November 10, 2021
|
|
Psi4, output .wfx file from SAPT
|
|
2
|
271
|
October 20, 2021
|
|
GRAC shift calculation clarification for SAPT-DFT
|
|
3
|
495
|
September 29, 2021
|
|
Memory problem in SAPT calculation
|
|
2
|
315
|
August 26, 2021
|
|
Is SAPT2+ supported via psi4.sapt()?
|
|
1
|
286
|
July 26, 2021
|
|
Fsapt.py crashes
|
|
7
|
356
|
July 7, 2021
|
|
Force between atoms by SAPT
|
|
3
|
408
|
July 1, 2021
|
|
Question about sapt
|
|
0
|
325
|
June 28, 2021
|
|
SAPT level suitable for halogenated molecules
|
|
6
|
373
|
June 25, 2021
|
|
Huge induction energy in FI-SAPT0
|
|
3
|
441
|
April 10, 2021
|
|
Quesionts about fisapt0 input
|
|
3
|
402
|
June 6, 2021
|
|
Psi4 SAPT0 calculation was interrupted without error message
|
|
5
|
382
|
April 2, 2021
|
|
SAPT0 crashed without error message
|
|
2
|
332
|
March 29, 2021
|
|
SAPT - computing time questions
|
|
5
|
531
|
March 11, 2021
|
|
RuntimeError SAPT Calculation in a cluster
|
|
10
|
508
|
March 4, 2021
|