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Troubles in SAPT calculation
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1
|
697
|
October 28, 2019
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DLU solver did not converge
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0
|
710
|
October 27, 2019
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F-SAPT error (Fatal Error: Monomer A: A Matrix is not SPD)
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1
|
933
|
October 22, 2019
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Is SAPT energy the hydrogen bond energy?
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2
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995
|
October 16, 2019
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Running I-SAPT with molecule created "from_array"
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1
|
1174
|
October 7, 2019
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57/5000 I work transition metals dimer. psi4 missing the number of electrons
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7
|
928
|
December 3, 2019
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'Failed to converge' in sapt calculation
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7
|
2515
|
September 19, 2019
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About SAPT (DFT)
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3
|
1971
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September 16, 2019
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The total binding energy in SAPT energy decomposition turns out to be positive
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7
|
2010
|
September 3, 2019
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|
Atomic numbers limit in SAPT?
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7
|
848
|
November 1, 2019
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|
SAPT with ECP for Iodine atom
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3
|
1981
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August 3, 2019
|
|
SAPT (DFT) issues
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|
1
|
1186
|
July 26, 2019
|
|
Bug in the E(30)ind SAPT correction?
|
|
2
|
665
|
July 12, 2019
|
|
Higher order SAPT with RI for heavier elements
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|
1
|
747
|
May 23, 2019
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Unusually High Electrostatic Energy for Ionic Systems w/ SAPT2+3?
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|
5
|
907
|
May 14, 2019
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MinAO file extension
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1
|
734
|
May 9, 2019
|
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SAPT(DFT) wB97X-V Error
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6
|
2159
|
May 2, 2019
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|
Interaction between transition metal and waters
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|
2
|
752
|
May 2, 2019
|
|
Is this statement about the SAPT analysis true?
|
|
11
|
1397
|
June 13, 2019
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|
sSAPT Scaling term and F-SAPT
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3
|
1020
|
April 12, 2019
|
|
F/I SAPT0 problem with three fragments
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|
1
|
1762
|
April 5, 2019
|
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Open-shell sapt calaculation
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|
13
|
1858
|
May 26, 2019
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