freebsd-ports/science/jdftx/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

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Text

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.