BSD Ports

math/py-gau2grid 2.0.7_2 DragonFly

Fast computation of a gaussian and its derivative on a grid

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
BSD3CLAUSE
Categories
math, python
Package size
184.2 KiB, 890.9 KiB installed

Description

gau2grid is a python-generated C library for vectorized computation of grid to gaussian collocation matrices.

The core of gau2grid is generating the collocation matrices between a real space grid and a gaussian basis set expanded to a given angular momenta.

In the other systems

SystemPortVersion
DragonFlymath/py-gau2grid2.0.7_2
FreeBSDmath/py-gau2grid2.0.9
HardenedBSDmath/py-gau2grid2.0.9
GhostBSDmath/py-gau2grid2.0.9

Install

Binary package:

pkg install py311-gau2grid

From DPorts:

cd /usr/dports/math/py-gau2grid && make install clean

Dependencies

Run dependencies 2

No port depends on this one.