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About the SAPT category
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1
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March 30, 2019
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Is SAPT energy the hydrogen bond energy?
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3
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October 16, 2019
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Running I-SAPT with molecule created "from_array"
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2
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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
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October 4, 2019
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'Failed to converge' in sapt calculation
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8
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September 19, 2019
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Fatal Error: A Matrix is not SPD
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5
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September 17, 2019
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SAPT (DFT) m062x
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2
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September 16, 2019
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About SAPT (DFT)
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4
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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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8
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September 3, 2019
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Atomic numbers limit in SAPT?
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7
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September 2, 2019
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SAPT with ECP for Iodine atom
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4
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August 3, 2019
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SAPT (DFT) issues
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2
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July 26, 2019
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Bug in the E(30)ind SAPT correction?
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3
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July 12, 2019
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Higher order SAPT with RI for heavier elements
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2
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May 23, 2019
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Unusually High Electrostatic Energy for Ionic Systems w/ SAPT2+3?
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6
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May 14, 2019
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MinAO file extension
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2
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May 9, 2019
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**Fatal Error: SCF::DF: Disk based algorithm requires
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3
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May 8, 2019
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SAPT(DFT) wB97X-V Error
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7
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May 2, 2019
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Interaction between transition metal and waters
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3
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May 2, 2019
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Is this statement about the SAPT analysis true?
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12
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June 13, 2019
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sSAPT Scaling term and F-SAPT
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4
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April 12, 2019
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F/I SAPT0 problem with three fragments
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2
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April 5, 2019
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Open-shell sapt calaculation
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14
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May 26, 2019
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