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authorYuri Victorovich <yuri@FreeBSD.org>2018-08-27 22:25:05 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2018-08-27 22:25:05 +0000
commit54ad110037dcc916aa6db87526105e1414c21222 (patch)
tree9a8dd8e2050d7d54400203520436ee183a5cc65a /science/mpqc
parent6d912bb442ebc29589bc04239a4aa4e94cd997d0 (diff)
downloadports-54ad110037dcc916aa6db87526105e1414c21222.tar.gz
ports-54ad110037dcc916aa6db87526105e1414c21222.zip
Notes
Diffstat (limited to 'science/mpqc')
-rw-r--r--science/mpqc/pkg-descr8
1 files changed, 4 insertions, 4 deletions
diff --git a/science/mpqc/pkg-descr b/science/mpqc/pkg-descr
index 4ba2ee45411a..18f6fd37da91 100644
--- a/science/mpqc/pkg-descr
+++ b/science/mpqc/pkg-descr
@@ -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 employ other settings by:
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/