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About the feature-request category
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0
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1148
|
July 16, 2015
|
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Routine calculating the interaction energy of electron density with point charge
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0
|
29
|
April 9, 2021
|
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Diagonal Born-Oppenheimer correction
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1
|
32
|
April 8, 2021
|
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Density fitted range-separated exchange
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6
|
38
|
April 4, 2021
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Atomic Forces from Electron Density
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15
|
401
|
March 29, 2021
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R2SCAN-3c for biomolecules
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1
|
61
|
February 25, 2021
|
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Automatic selection of active orbitals
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3
|
140
|
February 11, 2021
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MBIS radial moments
|
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3
|
143
|
November 30, 2020
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Nuclear potential integrals broken out by nucleus
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4
|
315
|
June 12, 2020
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Reading from .fchk files
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5
|
473
|
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
|
285
|
February 21, 2020
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Restarting a SCF with another reference SCF wavefunction
|
|
8
|
481
|
April 5, 2020
|
|
Getting binary file with MO and basis informations from psi4
|
|
7
|
596
|
January 11, 2020
|
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Libvdwxc for vdW-DF-cx
|
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0
|
309
|
June 23, 2019
|
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Finite Temperature DFT
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2
|
371
|
May 15, 2019
|
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State-Averaged CASSCF with Symmetry
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3
|
1264
|
May 2, 2019
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External potential in FISAPT module
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1
|
311
|
April 26, 2019
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Density grandient and its laplacian
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7
|
385
|
March 27, 2019
|
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FNO-CCSD(T) for UHF reference
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0
|
360
|
March 19, 2019
|
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XYG3 or XYGJ-OS?
|
|
5
|
683
|
December 1, 2018
|
|
Info about analytic gradients for wb97m-v or b97m-v functionals for use with OPTIMIZE keyword
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7
|
735
|
October 8, 2018
|
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PCMSolver Parallelisation
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|
8
|
1709
|
October 5, 2018
|
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New functional: wB97M(2) double hybrid functional from Head-Gordon et al
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4
|
963
|
August 22, 2018
|
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Dryrun with estimation of memory need for calculation
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3
|
589
|
August 18, 2018
|
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HOMO LUMO extracting energies does not work
|
|
2
|
587
|
August 17, 2018
|
|
Three-body SAPT analysis
|
|
0
|
559
|
August 1, 2018
|
|
Scf level shift?
|
|
5
|
793
|
June 19, 2018
|
|
Feature Requests for Psi4
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|
28
|
5689
|
January 19, 2018
|
|
Geometry optimization with PCM
|
|
1
|
1250
|
April 2, 2017
|
