1
0
mirror of https://git.FreeBSD.org/ports.git synced 2025-01-03 06:04:53 +00:00
freebsd-ports/science/qmcpack/pkg-descr
Stefan Eßer fb16dfecae Remove WWW entries moved into port Makefiles
Commit b7f05445c0 has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
2022-09-07 23:58:51 +02:00

12 lines
706 B
Plaintext

QMCPACK is an open-source, high-performance electronic structure code that
implements numerous Quantum Monte Carlo algorithms. Its main applications are
electronic structure calculations of molecular, periodic 2D and periodic 3D
solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC)
and a number of other advanced QMC algorithms are implemented.
By directly solving the Schrodinger equation, QMC methods offer greater accuracy
than methods such as density functional theory, but at a trade-off of much
greater computational expense. Distinct from many other correlated many-body
methods, QMC methods are readily applicable to both bulk (periodic) and isolated
molecular systems.