About the feature-request category
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0
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1148
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July 16, 2015
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Routine calculating the interaction energy of electron density with point charge
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0
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29
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April 9, 2021
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Diagonal Born-Oppenheimer correction
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1
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32
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April 8, 2021
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Density fitted range-separated exchange
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6
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38
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April 4, 2021
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Atomic Forces from Electron Density
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15
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401
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March 29, 2021
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R2SCAN-3c for biomolecules
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1
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61
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February 25, 2021
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Automatic selection of active orbitals
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3
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140
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February 11, 2021
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MBIS radial moments
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3
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143
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November 30, 2020
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Nuclear potential integrals broken out by nucleus
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4
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315
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June 12, 2020
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Reading from .fchk files
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5
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473
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July 22, 2020
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Explicitly correlated methods
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5
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2010
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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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285
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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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481
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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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596
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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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309
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June 23, 2019
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Finite Temperature DFT
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2
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371
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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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1264
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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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311
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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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385
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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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360
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March 19, 2019
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XYG3 or XYGJ-OS?
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5
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683
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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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735
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October 8, 2018
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PCMSolver Parallelisation
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8
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1709
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October 5, 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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963
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August 22, 2018
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Dryrun with estimation of memory need for calculation
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3
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589
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August 18, 2018
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HOMO LUMO extracting energies does not work
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2
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587
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August 17, 2018
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Three-body SAPT analysis
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0
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559
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August 1, 2018
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Scf level shift?
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5
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793
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June 19, 2018
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Feature Requests for Psi4
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28
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5689
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January 19, 2018
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Geometry optimization with PCM
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1
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1250
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April 2, 2017
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