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About the feature-request category
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0
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1772
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July 16, 2015
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EA-EOM and IP-EOM CCSD by CONTINUUM orbital trick
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0
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25
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July 17, 2024
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A,B, and C Dipole Moments
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0
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140
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April 12, 2024
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Feature request: Generate frontier_orbital range in cubeprop
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0
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195
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January 18, 2024
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Changes to output of optimization and frequency calculationsfor convenience
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3
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431
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November 23, 2023
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How can I project the Gaussian functions onto a basis of atomic orbitals?
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1
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274
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September 12, 2023
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Print Exchange contribution in hybrid DFT Functional
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0
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250
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July 19, 2023
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Defining frozen core settings in Psi4 for a composite scheme
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1
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267
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April 25, 2023
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Silence output files from psi4 as python module
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3
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456
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January 18, 2023
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Parallelization improvement
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2
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370
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January 10, 2023
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Unable to silence auxiliary prints in psi4.driver.energy
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2
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359
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October 2, 2022
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COSX for range-separated hybrids?
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2
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539
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June 6, 2022
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Analytic second derivatives for DFT
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4
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814
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July 15, 2022
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PCMSolver Parallelisation
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10
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3593
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March 9, 2022
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Improved error message when using incorrect reference type
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3
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706
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February 26, 2022
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Davidson size-consistency correction in RAS
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2
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486
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November 12, 2021
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Scf level shift?
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6
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1679
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July 3, 2021
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Nuclear potential integrals broken out by nucleus
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9
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966
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June 2, 2021
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PCM analytic gradients
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2
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599
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May 18, 2021
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Geometry and frequency in fchk file
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0
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494
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May 9, 2021
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R2SCAN-3c for biomolecules
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4
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1085
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April 22, 2021
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Routine calculating the interaction energy of electron density with point charge
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0
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627
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April 9, 2021
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Diagonal Born-Oppenheimer correction
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1
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624
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April 8, 2021
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Density fitted range-separated exchange
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7
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756
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June 3, 2021
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Atomic Forces from Electron Density
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16
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1780
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March 29, 2021
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Automatic selection of active orbitals
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3
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1717
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February 11, 2021
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MBIS radial moments
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3
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812
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November 30, 2020
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Reading from .fchk files
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5
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1480
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July 22, 2020
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Explicitly correlated methods
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5
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2599
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May 14, 2020
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Geometry Optimisation with arbitrary wavefunction
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4
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995
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February 21, 2020
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