Commit 00ad80f2 authored by hebrewsnabla's avatar hebrewsnabla
Browse files

update README

parent e3159da1
......@@ -8,11 +8,14 @@ This program aims to do:
## Pre-requisites
* MOKIT (no need to fully compile, only lo, autopair are needed)
* PySCF
* [PySCF](https://github.com/pyscf/pyscf)
* [mrh](https://github.com/MatthewRHermes/mrh) (optional, for MC-PDFT)
## Features
* UHF -> UNO -> CASSCF
* RHF -> vir MO projection -> PM LMO -> CASSCF
* CASSCF -> NEVPT2
* CASSCF -> MC-PDFT
UHF, RHF can be auto-detected.
......
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