jdftx-1.5.0.txz


Advertisement

Description

jdftx - Software for joint density functional theory in chemistry

Property Value
Distribution FreeBSD 11
Repository FreeBSD Ports Latest i386
Package filename jdftx-1.5.0.txz
Package name jdftx
Package version 1.5.0
Package release -
Package architecture i386
Package type txz
Category science
Homepage http://jdftx.org/
License GPLv3+
Maintainer yuri@FreeBSD.org
Download size 44.39 MB
Installed size 79.58 MB
JDFTx is a software package for quantum chemistry computations.
JDFTx supports all the standard functionality present in any electronic DFT
software. It supports several semilocal, meta-GGA and EXX-hybrid
exchange-correlation functions, with additional options available by linking to
LibXC [18]. DFT+U [5] is available for treating localized electrons. Pair
potential dispersion corrections [10] are available for including van der Waals
interactions. JDFTx supports several formats of norm-conserving and ultrasoft
pseudopotentials and comes pre-installed with an opens-ource library for each.
With truncated Coulomb interactions [27], JDFTx enables accurate calculations
of systems of any dimensionality from 0 to 3: molecules, wires, slabs/2D
materials and bulk.
WWW: http://jdftx.org/
Options:
- HDF5: off
- LIBXC: on
- MPI: on
- OCTAVE: off
- SCALAPACK: off

Alternatives

Package Version Architecture Repository
jdftx-1.5.0.txz 1.5.0 amd64 FreeBSD Ports Latest
jdftx-1.5.0.txz 1.5.0 i386 FreeBSD Ports Quarterly
jdftx-1.5.0.txz 1.5.0 amd64 FreeBSD Ports Quarterly
jdftx - - -

Requires

Name Value
bash = 5.0.7
blas = 3.5.0_6
cblas = 1.0_12
fftw3 = 3.3.8_4
gcc9 = 9.1.0_1
gsl = 2.5_1
lapack = 3.5.0_8
libblas.so.2 -
libcblas.so.2 -
libfftw3.so.3 -
libfftw3_threads.so.3 -
libgcc_s.so.1 -
libgsl.so.23 -
liblapack.so.4 -
libmpi.so.12 -
libmpicxx.so.12 -
libxc = 4.2.3_3
libxc.so.5 -
mpich = 3.2.1_5

Provides

Name Value
libjdftx.so -

Download

Type URL
Mirror pkg.freebsd.org
Binary Package jdftx-1.5.0.txz
Source Package science/jdftx

Install Howto

Install jdftx txz package:

# pkg install jdftx

See Also

Package Description
jdictionary-1.8_4.txz Platform independent, plugin based dictionary
jdictionary-int-eng-1.0_4.txz JDictionary plugin: Interlingua-English dictionary
jdiskreport-1.4.1.txz Java program to graphically display disk usage statistics
jdom-1.1.1,1.txz Java library for accessing and manipulating XML documents
jdraw-1.1.5_2.txz Pixel oriented graphics editor
jdresolve-0.6.1_2.txz IP addresse to hostname program for httpd log files
jdupes-1.12.txz Powerful duplicate file finder and an enhanced fork of 'fdupes'
je-6.2.31.txz Berkeley DB Java Edition
jed-0.99.19_4.txz SLang-based text editor
jedit-5.5.0,1.txz Powerful programmer's text editor written in Java
jenkins-2.200.txz Open-source continuous integration server
jenkins-lts-2.176.4.txz Open-source continuous integration server
jericho-html-3.2.txz Java library to analyse and manipulate HTML
jerm-8096.txz Communication terminal through serial and TCP/IP interfaces
jesred-1.2.1_1.txz Redirector for Squid
Advertisement
Advertisement