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ports/science/py-geometric/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

8 lines
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This is a geometry optimization code for molecular structures. The code works
by calling external software for the energy and gradient through wrapper
functions. Q-Chem, TeraChem, Psi4, Molpro, and Gaussian 09/16 are supported
quantum chemistry codes through the command line interface. The PySCF and
QCArchive packages also provide interfaces to geomeTRIC for optimization.
MM optimizations using OpenMM and Gromacs are also supported through the
command line interface.