Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F69221459
history.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sun, Jun 30, 19:38
Size
2 KB
Mime Type
text/html
Expires
Tue, Jul 2, 19:38 (1 d, 22 h)
Engine
blob
Format
Raw Data
Handle
18684762
Attached To
rLAMMPS lammps
history.html
View Options
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2//EN">
<HTML>
<HEAD>
<META NAME="Generator" CONTENT="Cosmo Create 1.0.3">
</HEAD>
<BODY>
<H2>
History of LAMMPS</H2>
<P>
<A HREF="README.html">Return</A> to top-level of LAMMPS documentation.</P>
<P>
This is a brief history of features added to each version of LAMMPS.</P>
<HR>
<H3>
LAMMPS 99 - June 99 </H3>
<UL>
<LI>
all-MPI version of code (F77 + C + MPI) for maximum portablility
<LI>
only one PPPM choice now, the better of the two earlier ones
<LI>
PPPM uses portable FFTs and data remapping routines, written in C w/
MPI, can now use non-power-of-2 processors and grid sizes
<LI>
auto-mapping of simulation box to processors
<LI>
removed a few unused/unneeded commands (bdump, log file, id string,
limit)
<LI>
changed syntax of some commands for simplicity & consistency (see <A
HREF="input_commands.html">input commands</A>)
<LI>
changed method of calling/writing user diagnostic routines to be simpler
<LI>
documentation in HTML format
</UL>
<HR>
<H3>
Version 5.0 - Oct 1997 </H3>
<UL>
<LI>
final version of class II force fields
<LI>
new formulation of NVE, NVT, NPT and rRESPA integrators
<LI>
new version of msi2lmp pre-processing tool, does not require DISCOVER
to run, only DISCOVER force field files
<LI>
energy minimizer, Hessian-free truncated Newton method
<LI>
new pressure controllers and constraints
<LI>
replicate tool for generating new data files from old ones
</UL>
<HR ALIGN="LEFT">
<H3>
Version 4.0 - March 1997 </H3>
<UL>
<LI>
1st version of class II force fields
<LI>
new, faster PPPM solver (newpppm)
<LI>
rRESPA
<LI>
new data file format
<LI>
new constraints, diagnostics
<LI>
msi2lmp pre-processing tool
</UL>
<HR>
<H3>
Version 3.0 - March 1996 </H3>
<UL>
<LI>
more general force-field formulation
<LI>
atom/group constraints
<LI>
LJ units and bond potentials
<LI>
smoothed LJ potential option
<LI>
Langevin thermostat
<LI>
Newton's 3rd law option
<LI>
hook for user-supplied diagnostic routines
</UL>
<HR>
<H3>
Version 2.0 - October 1995 </H3>
<UL>
<LI>
bug fix of velocity initialization which caused drift
<LI>
PPPM for long-range Coulombic
<LI>
constant NPT
</UL>
<HR>
<H3>
Version 1.1 - February 1995 </H3>
<UL>
<LI>
Ewald for long-range Coulombic
<LI>
full Newton's 3rd law (doubled communication)
<LI>
dumping of atom positions and velocities
<LI>
restart files
</UL>
<HR>
<H3>
Version 1.0 - January 1995 </H3>
<UL>
<LI>
short-range bonded and non-bonded forces
<LI>
partial Newton's 3rd law
<LI>
velocity-Verlet integrator
</UL>
</BODY>
</HTML>
Event Timeline
Log In to Comment