Date: Mon, 29 Sep 2025 07:51:48 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: f81921a01f1a - main - science/qwalk: Improve pkg-descr Message-ID: <202509290751.58T7pmrg060045@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=f81921a01f1aeaf853636d8fd979a637916f7ad0 commit f81921a01f1aeaf853636d8fd979a637916f7ad0 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2025-09-29 07:50:37 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2025-09-29 07:50:37 +0000 science/qwalk: Improve pkg-descr --- science/qwalk/pkg-descr | 16 ++++++++++++---- 1 file changed, 12 insertions(+), 4 deletions(-) diff --git a/science/qwalk/pkg-descr b/science/qwalk/pkg-descr index f0e473e2929f..d3ad2e3f8fb3 100644 --- a/science/qwalk/pkg-descr +++ b/science/qwalk/pkg-descr @@ -1,4 +1,12 @@ -QWalk is a program developed to perform high accuracy quantum Monte Carlo -calculations of electronic structure in molecules and solids. It is specifically -designed as a research vehicle for new algorithms and method developments, as -well as being able to scale up to large system sizes. +QWalk is a high-accuracy quantum Monte Carlo (QMC) program designed for +electronic structure calculations in molecules and solids. It serves as a +research vehicle for developing new algorithms and methods, capable of +scaling up to large system sizes and finding very accurate solutions to +the stationary Schrodinger equation for atoms, molecules, solids, and +various model systems. + +Its primary application lies in computational condensed-matter physics +and chemistry, particularly for studying correlated electron systems and +determining both ground-state and excited-state properties of quantum +systems. QWalk provides a robust platform for advanced research in +quantum chemistry and materials science.home | help
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