Information about the package, dl_poly, which is shipped with common Linux distributions. The dl_poly package is designed for, General purpose classical molecular dynamics (MD) simulation.
Package Name:
dl_poly
Summary:
General purpose classical molecular dynamics (MD) simulation
Description:
DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the Computational Chemistry Group, (CCG) at Daresbury Laboratory under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases. DL_POLY Classic can be executed as a serial or a parallel application. The code achieves parallelisation using the Replicated Data strategy which is suitable for homogeneous, distributed-memory, parallel computers. The code is useful for simulations of up to 30,000 atoms with good parallel performance on up to 100 processors, though in some circumstances it can exceed or fail to reach these limits. Reference: I.T. Todorov, W. Smith, K. Trachenko & M.T. Dove, Journal of Materials Chemistry, (2006) 16, 1911-1918 This is a serial version.
Architecture:
x86_64
Version:
1.9.20140324
Release:
10.el6
Size:
935 k
Repository:
epel
From Repository:
Licence:
BSD
Control the dl_poly package with the following handy commands outlined below.
yum install dl_poly
This command will install dl_poly on the server.
yum remove dl_poly
This command will un-install dl_poly on the server. When you run this command, you will be asked if you are sure that you want to remove dl_poly, so you have to manually confirm that you want to do this.
yum -y remove dl_poly
This command will un-install dl_poly on the server. When you run this command with th e -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove dl_poly when using the -y flag.
yum update dl_poly
This command will update dl_poly to the latest version. When you run this command, you will be asked if you are sure that you want to remove dl_poly, so you have to manually confirm that you want to do this.
yum -y update dl_poly
This command will update dl_poly to the latest version. When you run this command with the -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove dl_poly when using the -y flag.
yum info dl_poly
This command will show you core information about the dl_poly package.
yum deplist dl_poly
This command will show you the dependencies for dl_poly. Thankfully, when using Yum, if dependencies are required, these are also installed at the same time so you don't have to worry too much about that.
yum check-update dl_poly
This command will check if there is an update waiting on dl_poly. When you run this command this will return nothing if there is nothing to update, or, will return the package name if the package is due to be updated.