-
requirements
- 64-bit
- OS X 10.9 or higher
-
1.
get installer.
-
Python 2.7
Python 3.5
Python 3.6
-
2.
run installer in terminal, including the bash.
-
bash Psi4conda[27|35|36]-latest-MacOSX.sh
-
requirements
- 64-bit
- glibc 2.7 or higher
-
1.
get installer.
-
Python 2.7
Python 3.5
Python 3.6
-
2.
run installer in terminal, including the bash.
-
bash Psi4conda[27|35|36]-latest-Linux.sh
-
requirements
- 64-bit
- glibc 2.7 or higher
-
1.
get installer.
-
Python 2.7
Python 3.5
Python 3.6
-
2.
run installer in terminal, including the bash.
-
bash Psi4conda[27|35|36]-latest-Linux.sh
-
provides
-
Psi4, open-source quantum chemistry
-
CheMPS2, S. Wouters' spin-adapted implementation of DMRG
-
DFTD3, S. Grimme's dispersion correction for DFT, HF, and semi-empirical
-
libefp, I. Kaliman's effective fragment potential (EFP) library
-
erd, N. Flocke and V. Lotrich's Gaussian molecular integrals for AcesIII
-
gCP, S. Grimme's geometrical counterpoise correction for DFT and HF
-
gdma, A. Stone's Gaussian distributed multipole analysis (GDMA)
-
libint, E. Valeev and J. Fermann's two-body Gaussian molecular integrals
-
PCMSolver, R. Di Remigio's API for the polarizable continuum model
-
simint, B. Pritchard's vectorized Obara-Saika electron repulsion integrals
-
v2rdm_casscf, E. DePrince's variational 2-RDM-driven CASSCF plugin to Psi4
-
next steps
-
configuration
-
tutorials
-
video tutorials
-
forum