feature-request


Topic Replies Activity
About the feature-request category 1 July 16, 2015
Libvdwxc for vdW-DF-cx 1 June 23, 2019
Finite Temperature DFT 3 May 15, 2019
State-Averaged CASSCF with Symmetry 4 May 2, 2019
External potential in FISAPT module 2 April 26, 2019
Density grandient and its laplacian 8 March 27, 2019
FNO-CCSD(T) for UHF reference 1 March 19, 2019
XYG3 or XYGJ-OS? 6 December 1, 2018
Info about analytic gradients for wb97m-v or b97m-v functionals for use with OPTIMIZE keyword 8 October 8, 2018
PCMSolver Parallelisation 9 October 5, 2018
New functional: wB97M(2) double hybrid functional from Head-Gordon et al 5 August 22, 2018
Dryrun with estimation of memory need for calculation 4 August 18, 2018
HOMO LUMO extracting energies does not work 3 August 17, 2018
Three-body SAPT analysis 1 August 1, 2018
Scf level shift? 6 June 19, 2018
Feature Requests for Psi4 29 January 19, 2018
Geometry optimization with PCM 2 April 2, 2017
Optimization with additional harmonic constraints 7 February 25, 2017
Explicitly correlated methods 4 February 21, 2017
Implement OD(T) in PSI4 2 February 8, 2017
B3LYP defect compatibility with GAMESS and Gaussian 12 April 13, 2016
Is ROHF-BCCD(T) possible? 21 March 1, 2016
LRC-DFT gradients time plan? 4 February 19, 2016
Allow upload or text files 4 October 13, 2015