|
About the feature-request category
|
|
0
|
1489
|
July 16, 2015
|
|
Silence output files from psi4 as python module
|
|
3
|
84
|
January 18, 2023
|
|
Parallelization improvement
|
|
2
|
106
|
January 10, 2023
|
|
Unable to silence auxiliary prints in psi4.driver.energy
|
|
2
|
113
|
October 2, 2022
|
|
COSX for range-separated hybrids?
|
|
2
|
232
|
June 6, 2022
|
|
Analytic second derivatives for DFT
|
|
4
|
272
|
July 15, 2022
|
|
PCMSolver Parallelisation
|
|
10
|
3128
|
March 9, 2022
|
|
Improved error message when using incorrect reference type
|
|
3
|
298
|
February 26, 2022
|
|
Davidson size-consistency correction in RAS
|
|
2
|
279
|
November 12, 2021
|
|
Scf level shift?
|
|
6
|
1380
|
July 3, 2021
|
|
Nuclear potential integrals broken out by nucleus
|
|
9
|
694
|
June 2, 2021
|
|
PCM analytic gradients
|
|
2
|
351
|
May 18, 2021
|
|
Geometry and frequency in fchk file
|
|
0
|
281
|
May 9, 2021
|
|
R2SCAN-3c for biomolecules
|
|
4
|
629
|
April 22, 2021
|
|
Routine calculating the interaction energy of electron density with point charge
|
|
0
|
393
|
April 9, 2021
|
|
Diagonal Born-Oppenheimer correction
|
|
1
|
351
|
April 8, 2021
|
|
Density fitted range-separated exchange
|
|
7
|
480
|
June 3, 2021
|
|
Atomic Forces from Electron Density
|
|
16
|
1146
|
March 29, 2021
|
|
Automatic selection of active orbitals
|
|
3
|
938
|
February 11, 2021
|
|
MBIS radial moments
|
|
3
|
496
|
November 30, 2020
|
|
Reading from .fchk files
|
|
5
|
1027
|
July 22, 2020
|
|
Explicitly correlated methods
|
|
5
|
2346
|
May 14, 2020
|
|
Geometry Optimisation with arbitrary wavefunction
|
|
4
|
655
|
February 21, 2020
|
|
Restarting a SCF with another reference SCF wavefunction
|
|
8
|
1591
|
April 5, 2020
|
|
Getting binary file with MO and basis informations from psi4
|
|
7
|
1074
|
January 11, 2020
|
|
Libvdwxc for vdW-DF-cx
|
|
0
|
565
|
June 23, 2019
|
|
Finite Temperature DFT
|
|
2
|
743
|
May 15, 2019
|
|
State-Averaged CASSCF with Symmetry
|
|
3
|
1547
|
May 2, 2019
|
|
External potential in FISAPT module
|
|
1
|
652
|
April 26, 2019
|
|
Density grandient and its laplacian
|
|
7
|
644
|
March 27, 2019
|