|
DLU solver did not converge
|
|
0
|
235
|
October 27, 2019
|
|
F-SAPT error (Fatal Error: Monomer A: A Matrix is not SPD)
|
|
1
|
259
|
October 22, 2019
|
|
Is SAPT energy the hydrogen bond energy?
|
|
2
|
292
|
October 16, 2019
|
|
Running I-SAPT with molecule created "from_array"
|
|
1
|
221
|
October 7, 2019
|
|
57/5000 I work transition metals dimer. psi4 missing the number of electrons
|
|
7
|
267
|
December 3, 2019
|
|
'Failed to converge' in sapt calculation
|
|
7
|
706
|
September 19, 2019
|
|
About SAPT (DFT)
|
|
3
|
618
|
September 16, 2019
|
|
The total binding energy in SAPT energy decomposition turns out to be positive
|
|
7
|
600
|
September 3, 2019
|
|
Atomic numbers limit in SAPT?
|
|
7
|
300
|
November 1, 2019
|
|
SAPT with ECP for Iodine atom
|
|
3
|
537
|
August 3, 2019
|
|
SAPT (DFT) issues
|
|
1
|
541
|
July 26, 2019
|
|
Bug in the E(30)ind SAPT correction?
|
|
2
|
249
|
July 12, 2019
|
|
Higher order SAPT with RI for heavier elements
|
|
1
|
369
|
May 23, 2019
|
|
Unusually High Electrostatic Energy for Ionic Systems w/ SAPT2+3?
|
|
5
|
329
|
May 14, 2019
|
|
MinAO file extension
|
|
1
|
256
|
May 9, 2019
|
|
SAPT(DFT) wB97X-V Error
|
|
6
|
585
|
May 2, 2019
|
|
Interaction between transition metal and waters
|
|
2
|
286
|
May 2, 2019
|
|
Is this statement about the SAPT analysis true?
|
|
11
|
502
|
June 13, 2019
|
|
sSAPT Scaling term and F-SAPT
|
|
3
|
396
|
April 12, 2019
|
|
F/I SAPT0 problem with three fragments
|
|
1
|
597
|
April 5, 2019
|
|
Open-shell sapt calaculation
|
|
13
|
631
|
May 26, 2019
|
