DL_POLY is a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory since 1992. Over the years has been transformed from a replicated memory code to a distributed memory one. It can be built in serial form or parallel form via MPI. See instruction...
DL_POLYDENSITY-FUNCTIONAL THEORYHYDROGEN-BOND PATTERNSP-AMINOBENZOIC ACIDATOM FORCE-FIELDCRYSTAL MORPHOLOGYThree separately developed software Molecular Dynamics packages at Daresbury Laboratory, namely DL_FIELD (DL_F), DL_POLY and DL_ANALYSER, have been integrated to form an efficient computational ...
Although as we shall see the current DL_POLY software cannot effectively exploit the AVX-512 units, the other factors argue for the 6100 series. Intel Xeon Platinum –Recommended for some DL_POLY workloads: Although these models provide the highest performance, their higher price makes them ...
ping10nkc 1065255楼: Originally posted by cg陈 at 2011-02-19 21:14:37: 刚刚去了下官网 没找到可以下载的链接哈 不知哪位大侠有完整的程序包呀或者下载链接哈 小弟厚脸皮求一下 谢谢大家的帮助哈 能给我看下嘛?官网是什么, 小江浪水 http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/ 猜...
DL_POLY clinic - what’s up doc? Computational Science and Engineering Daresbury Laboratory Hands-on Session Info ? Invoke Netscape ? Access: http://www.cse.clrc.ac.uk/msi/ software/DL_POLY/COURSES/ Tutorial ? Follow instructions therein! Computational Science and Engineering ...
Molecular Builders - free software to build molecular inputs for LAMMPS Enhanced Monte Carlo Moltempl...
The compressive property of hydrogels was tested on a universal testing machine (AI-3000, Gotech Testing Machines Co., Ltd., with U62 software) with a 100 N load cell at room temperature. The crosshead speed was set at 1 mm/min, and the test limit of compressive strain was set ...
Poly(dl-lactic acid) or PLA is a biodegradable polymer. It has received much attention since it plays an important role in resolving the global warming problem. The protease produced by Actinomadura keratinilytica strain T16-1 was previously reported as having PLA depolymerase potential and being ...
IT & Software Biotechnology Electronics Oil, Gas & Geosciences Engineering Aerospace Health & Hospitals Telecommunications Chemical Manufacturing Automotive Energy, Utilities & Environment Consumer Packaged Goods Pharma Authors Kashappa Goud H. Desai (1) Susan R. Mallery (2) Steven...
1 month ago dataUse dlpoly-py based test framework in DL_POLY 9 months ago documentationissue2041: cutoff distance check for shifted n-m potential 2 days ago easybuildadd easybuild recipes 2 years ago executeApply commitd8f397bb 6 years ago ...