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About the feature-request category
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0
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1312
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July 16, 2015
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Analytic second derivatives for DFT
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3
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68
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May 16, 2022
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PCMSolver Parallelisation
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10
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2427
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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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120
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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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154
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November 12, 2021
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Scf level shift?
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6
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1144
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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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566
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June 2, 2021
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PCM analytic gradients
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2
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220
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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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171
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May 9, 2021
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R2SCAN-3c for biomolecules
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4
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390
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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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229
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April 9, 2021
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Diagonal Born-Oppenheimer correction
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1
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223
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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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252
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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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820
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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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529
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February 11, 2021
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MBIS radial moments
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3
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348
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November 30, 2020
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Reading from .fchk files
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5
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824
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July 22, 2020
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Explicitly correlated methods
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5
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2205
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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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451
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February 21, 2020
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Restarting a SCF with another reference SCF wavefunction
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8
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1071
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April 5, 2020
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Getting binary file with MO and basis informations from psi4
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7
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875
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January 11, 2020
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Libvdwxc for vdW-DF-cx
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0
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434
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June 23, 2019
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Finite Temperature DFT
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2
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596
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May 15, 2019
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State-Averaged CASSCF with Symmetry
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3
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1407
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May 2, 2019
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External potential in FISAPT module
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1
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463
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April 26, 2019
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Density grandient and its laplacian
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7
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522
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March 27, 2019
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FNO-CCSD(T) for UHF reference
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0
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474
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March 19, 2019
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XYG3 or XYGJ-OS?
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5
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929
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December 1, 2018
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Info about analytic gradients for wb97m-v or b97m-v functionals for use with OPTIMIZE keyword
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7
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973
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October 8, 2018
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New functional: wB97M(2) double hybrid functional from Head-Gordon et al
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4
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1308
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August 22, 2018
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