svn commit: r478258 - head/science/mpqc
Yuri Victorovich
yuri at FreeBSD.org
Mon Aug 27 22:25:06 UTC 2018
Author: yuri
Date: Mon Aug 27 22:25:05 2018
New Revision: 478258
URL: https://svnweb.freebsd.org/changeset/ports/478258
Log:
science/mpqc: Fix portlint warnings about non-ASCII characters; Change WWW to https
Modified:
head/science/mpqc/pkg-descr
Modified: head/science/mpqc/pkg-descr
==============================================================================
--- head/science/mpqc/pkg-descr Mon Aug 27 21:58:32 2018 (r478257)
+++ head/science/mpqc/pkg-descr Mon Aug 27 22:25:05 2018 (r478258)
@@ -1,6 +1,6 @@
MPQC is the Massively Parallel Quantum Chemistry Program. It computes
properties of atoms and molecules from first principles using the time
-independent Schrödinger equation. It runs on a wide range of architectures
+independent Schrodinger equation. It runs on a wide range of architectures
ranging from single many-core computers to massively parallel computers.
Its design is object oriented, using the C++ programming language.
@@ -11,9 +11,9 @@ Capabilities
functional theory energies and gradients.
* Second order open shell perturbation theory (OPT2[2]) and Z-averaged
perturbation theory (ZAPT2) energies.
-* Second order closed shell Møller-Plesset perturbation theory energies and
+* Second order closed shell Moller-Plesset perturbation theory energies and
gradients.
-* Second order Møller-Plesset perturbation theory including an R12/F12
+* Second order Moller-Plesset perturbation theory including an R12/F12
correlation factor. Energies of closed- and open-shell systems are
supported.
* Explicitly-correlated R12/F12 coupled-cluster methods via interface to
@@ -30,4 +30,4 @@ You can also validate your mpqc binaries when you empl
For details, please see file:///usr/local/share/doc/mpqc/hierarchy.html
or http://www.mpqc.org/mpqc-html/mpqcval.html
-WWW: http://www.mpqc.org/
+WWW: https://www.mpqc.org/
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