|
About the feature-request category
|
|
0
|
1775
|
July 16, 2015
|
|
DFT First order hyperpolarizability (beta)
|
|
0
|
14
|
May 16, 2025
|
|
DLPNO-CCSD(T) method
|
|
3
|
147
|
March 4, 2025
|
|
Gorling-Levy perturbation theory
|
|
0
|
19
|
January 18, 2025
|
|
EA-EOM and IP-EOM CCSD by CONTINUUM orbital trick
|
|
0
|
65
|
July 17, 2024
|
|
A,B, and C Dipole Moments
|
|
0
|
152
|
April 12, 2024
|
|
Feature request: Generate frontier_orbital range in cubeprop
|
|
0
|
205
|
January 18, 2024
|
|
Changes to output of optimization and frequency calculationsfor convenience
|
|
3
|
460
|
November 23, 2023
|
|
How can I project the Gaussian functions onto a basis of atomic orbitals?
|
|
1
|
282
|
September 12, 2023
|
|
Print Exchange contribution in hybrid DFT Functional
|
|
0
|
257
|
July 19, 2023
|
|
Defining frozen core settings in Psi4 for a composite scheme
|
|
1
|
285
|
April 25, 2023
|
|
Silence output files from psi4 as python module
|
|
3
|
511
|
January 18, 2023
|
|
Parallelization improvement
|
|
2
|
384
|
January 10, 2023
|
|
Unable to silence auxiliary prints in psi4.driver.energy
|
|
2
|
372
|
October 2, 2022
|
|
COSX for range-separated hybrids?
|
|
2
|
559
|
June 6, 2022
|
|
Analytic second derivatives for DFT
|
|
4
|
882
|
July 15, 2022
|
|
PCMSolver Parallelisation
|
|
10
|
3624
|
March 9, 2022
|
|
Improved error message when using incorrect reference type
|
|
3
|
733
|
February 26, 2022
|
|
Davidson size-consistency correction in RAS
|
|
2
|
498
|
November 12, 2021
|
|
Scf level shift?
|
|
6
|
1702
|
July 3, 2021
|
|
Nuclear potential integrals broken out by nucleus
|
|
9
|
990
|
June 2, 2021
|
|
PCM analytic gradients
|
|
2
|
609
|
May 18, 2021
|
|
Geometry and frequency in fchk file
|
|
0
|
498
|
May 9, 2021
|
|
R2SCAN-3c for biomolecules
|
|
4
|
1108
|
April 22, 2021
|
|
Routine calculating the interaction energy of electron density with point charge
|
|
0
|
632
|
April 9, 2021
|
|
Diagonal Born-Oppenheimer correction
|
|
1
|
643
|
April 8, 2021
|
|
Density fitted range-separated exchange
|
|
7
|
771
|
June 3, 2021
|
|
Atomic Forces from Electron Density
|
|
16
|
1894
|
March 29, 2021
|
|
Automatic selection of active orbitals
|
|
3
|
1854
|
February 11, 2021
|
|
MBIS radial moments
|
|
3
|
832
|
November 30, 2020
|