Date: Mon, 27 Aug 2018 22:25:05 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478258 - head/science/mpqc Message-ID: <201808272225.w7RMP51e075046@repo.freebsd.org>
next in thread | raw e-mail | index | archive | help
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/
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?201808272225.w7RMP51e075046>