Bug#979071: ITP: neci -- Full Configuration Interaction Quantum Monte Carlo Code

[Michael Banck <mbanck@debian.org>]

Package: wnpp
Severity: wishlist
Owner: Michael Banck <mbanck@debian.org>

* Package name    : neci
  Version         : git snapshot
  Upstream Author : George H. Booth and Ali Alavi
* URL             : https://github.com/ghb24/NECI_STABLE
* License         : GPLv3
  Programming Lang: Fortran90
  Description     : Full Configuration Interaction Quantum Monte Carlo Code

The N-Electron Configuration Interaction (NECI) code base implements FCIQMC
(Full Configuration Interaction Quantum Monte Carlo), a method based on a
stochastic application of the Hamiltonian matrix on a sparse sampling of the
wave function.

It can be interfaced to both OpenMolcas and pySCF in order to implement
stochastic CASSCF (complete active space SCF).