BSD Ports

science/erd 3.0.6_6 DragonFly

AcesIII electron repulsion integrals

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
GPLv2
Categories
science
Package size
331.2 KiB, 970.3 KiB installed

Description

Efficient electronic integrals in quantum chemistry, and their generalized derivatives for object oriented implementations of electronic structure calculations.

Based on the paper: * http://onlinelibrary.wiley.com/doi/10.1002/jcc.21018/abstract

In the other systems

SystemPortVersion
DragonFlyscience/erd3.0.6_6
FreeBSDscience/erd3.0.6_6

Install

Binary package:

pkg install erd

From DPorts:

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

Dependencies

Run dependencies 1

No port depends on this one.