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About the feature-request category
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|
0
|
1118
|
July 16, 2015
|
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MBIS radial moments
|
|
3
|
86
|
November 30, 2020
|
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Nuclear potential integrals broken out by nucleus
|
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4
|
276
|
June 12, 2020
|
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Reading from .fchk files
|
|
5
|
401
|
July 22, 2020
|
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Explicitly correlated methods
|
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5
|
1979
|
May 14, 2020
|
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Atomic Forces from Electron Density
|
|
12
|
290
|
April 8, 2020
|
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Geometry Optimisation with arbitrary wavefunction
|
|
4
|
246
|
February 21, 2020
|
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Restarting a SCF with another reference SCF wavefunction
|
|
8
|
405
|
April 5, 2020
|
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Getting binary file with MO and basis informations from psi4
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7
|
526
|
January 11, 2020
|
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Libvdwxc for vdW-DF-cx
|
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0
|
278
|
June 23, 2019
|
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Finite Temperature DFT
|
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2
|
336
|
May 15, 2019
|
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State-Averaged CASSCF with Symmetry
|
|
3
|
1234
|
May 2, 2019
|
|
External potential in FISAPT module
|
|
1
|
282
|
April 26, 2019
|
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Density grandient and its laplacian
|
|
7
|
356
|
March 27, 2019
|
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FNO-CCSD(T) for UHF reference
|
|
0
|
335
|
March 19, 2019
|
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XYG3 or XYGJ-OS?
|
|
5
|
642
|
December 1, 2018
|
|
Info about analytic gradients for wb97m-v or b97m-v functionals for use with OPTIMIZE keyword
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|
7
|
690
|
October 8, 2018
|
|
PCMSolver Parallelisation
|
|
8
|
1652
|
October 5, 2018
|
|
New functional: wB97M(2) double hybrid functional from Head-Gordon et al
|
|
4
|
909
|
August 22, 2018
|
|
Dryrun with estimation of memory need for calculation
|
|
3
|
545
|
August 18, 2018
|
|
HOMO LUMO extracting energies does not work
|
|
2
|
550
|
August 17, 2018
|
|
Three-body SAPT analysis
|
|
0
|
523
|
August 1, 2018
|
|
Scf level shift?
|
|
5
|
751
|
June 19, 2018
|
|
Feature Requests for Psi4
|
|
28
|
5623
|
January 19, 2018
|
|
Geometry optimization with PCM
|
|
1
|
1201
|
April 2, 2017
|
|
Optimization with additional harmonic constraints
|
|
6
|
2112
|
February 25, 2017
|
|
Implement OD(T) in PSI4
|
|
1
|
1266
|
February 8, 2017
|
|
B3LYP defect compatibility with GAMESS and Gaussian
|
|
11
|
4877
|
April 13, 2016
|
|
Is ROHF-BCCD(T) possible?
|
|
20
|
4372
|
March 1, 2016
|
|
LRC-DFT gradients time plan?
|
|
3
|
1565
|
February 19, 2016
|
