The new Psi4 version 1.6 is available! # New Methods * ADIIS | Computational and Quantum Chemistry
The new Psi4 version 1.6 is available!
# New Methods * ADIIS/EDIIS for RHF/UHF. Now the default. * E(30)exch-ind term in SAPT2+3 without the S^2 approximation. * Linear exchange matrix build (LinK) in Direct SCF algorithm. * “Chain of Spheres” exchange. Used with density-fitted J, this is completely in-core and faster than DF for large system. Access through SCF_TYPE=COSX
# Performance Optimizations * Improve performance for the DLPNO-MP2 algorithm on many-core machines by around 20%.
