BSD Ports

science/atompaw 4.2.0.3_2 DragonFly

Tool for projector augmented wave functions for molecular simulations

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
GPLv3
Categories
science
Package size
4133.1 KiB, 16331.3 KiB installed

Description

atompaw is a tool to generate projector and basis functions needed for performing electronic structure calculations based on the projector augmented wave (PAW) method.

PAW method is based on the publication http://www.sciencedirect.com/science/article/pii/S0370157300000077

In the other systems

SystemPortVersion
DragonFlyscience/atompaw4.2.0.3_2
FreeBSDscience/atompaw4.2.0.5_2
NetBSDwip/atompaw3.0.1.8
HardenedBSDscience/atompaw4.2.0.5_2
GhostBSDscience/atompaw4.2.0.5_2

Install

Binary package:

pkg install atompaw

From DPorts:

cd /usr/dports/science/atompaw && make install clean

Dependencies

Run dependencies 4

No port depends on this one.