File: timestep.html

package info (click to toggle)
liggghts 3.0.3%2Brepack-2
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 106,076 kB
  • ctags: 34,406
  • sloc: cpp: 363,723; python: 21,138; ansic: 9,146; perl: 3,687; sh: 2,841; fortran: 2,802; xml: 788; makefile: 485; objc: 238; lisp: 169; f90: 145; csh: 16; awk: 14
file content (49 lines) | stat: -rw-r--r-- 1,289 bytes parent folder | download | duplicates (5)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> 
</CENTER>






<HR>

<H3>timestep command 
</H3>
<P><B>Syntax:</B>
</P>
<PRE>timestep dt 
</PRE>
<UL><LI>dt = timestep size (time units) 
</UL>
<P><B>Examples:</B>
</P>
<PRE>timestep 2.0 
timestep 0.003 
</PRE>
<P><B>Description:</B>
</P>
<P>Set the timestep size for subsequent molecular dynamics simulations.
See the <A HREF = "units.html">units</A> command for a discussion of time units.
The default value for the timestep also depends on the choice of units
for the simulation; see the default values below.
</P>
<P>When the <A HREF = "run_style.html">run style</A> is <I>respa</I>, dt is the timestep for
the outer loop (largest) timestep.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "fix_dt_reset.html">fix dt/reset</A>, <A HREF = "run.html">run</A>,
<A HREF = "run_style.html">run_style</A> respa, <A HREF = "units.html">units</A>
</P>
<P><B>Default:</B>
</P>
timestep = 0.005 tau for units = lj<BR>
timestep = 1.0 fmsec for units = real<BR>
timestep = 0.001 psec for units = metal<BR>
timestep = 1.0e-8 sec (10 nsec) for units = si or cgs <BR>

</HTML>