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About the feature-request category
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1
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1067
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July 16, 2015
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Nuclear potential integrals broken out by nucleus
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5
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202
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June 12, 2020
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Reading from .fchk files
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5
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261
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May 23, 2020
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Explicitly correlated methods
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6
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1883
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May 14, 2020
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Atomic Forces from Electron Density
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13
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187
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April 8, 2020
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Geometry Optimisation with arbitrary wavefunction
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5
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150
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February 21, 2020
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Restarting a SCF with another reference SCF wavefunction
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9
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207
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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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8
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359
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January 11, 2020
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Libvdwxc for vdW-DF-cx
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1
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214
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June 23, 2019
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Finite Temperature DFT
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3
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270
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May 15, 2019
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State-Averaged CASSCF with Symmetry
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4
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1158
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May 2, 2019
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External potential in FISAPT module
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2
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233
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April 26, 2019
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Density grandient and its laplacian
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8
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300
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March 27, 2019
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FNO-CCSD(T) for UHF reference
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1
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282
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March 19, 2019
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XYG3 or XYGJ-OS?
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6
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533
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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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8
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568
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October 8, 2018
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PCMSolver Parallelisation
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9
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1177
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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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5
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752
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August 22, 2018
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Dryrun with estimation of memory need for calculation
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4
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467
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August 18, 2018
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HOMO LUMO extracting energies does not work
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3
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463
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August 17, 2018
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Three-body SAPT analysis
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1
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462
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August 1, 2018
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Scf level shift?
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6
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638
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June 19, 2018
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Feature Requests for Psi4
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29
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5481
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January 19, 2018
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Geometry optimization with PCM
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2
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1102
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April 2, 2017
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Optimization with additional harmonic constraints
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7
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2026
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February 25, 2017
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Implement OD(T) in PSI4
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2
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1211
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February 8, 2017
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B3LYP defect compatibility with GAMESS and Gaussian
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12
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4635
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April 13, 2016
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Is ROHF-BCCD(T) possible?
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21
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4204
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March 1, 2016
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LRC-DFT gradients time plan?
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4
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1514
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February 19, 2016
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Allow upload or text files
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4
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1523
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October 13, 2015
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