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@ -121,26 +121,26 @@ details on this at the bottom of this page.
<P>Here are the subsequent topics discussed below, most of which are new
features that can be added in the manner just described:
</P>
10.1 <A HREF = "#10_1">Atom styles</A><BR>
10.2 <A HREF = "#10_2">Bond, angle, dihedral, improper potentials</A><BR>
10.3 <A HREF = "#10_3">Compute styles</A><BR>
10.4 <A HREF = "#10_4">Dump styles</A><BR>
10.5 <A HREF = "#10_5">Dump custom output options</A><BR>
10.6 <A HREF = "#10_6">Fix styles</A> which include integrators, temperature and pressure control, force constraints, boundary conditions, diagnostic output, etc<BR>
10.7 <A HREF = "10_7">Input script commands</A><BR>
10.8 <A HREF = "#10_8">Kspace computations</A><BR>
10.9 <A HREF = "#10_9">Minimization styles</A><BR>
10.10 <A HREF = "#10_10">Pairwise potentials</A><BR>
10.11 <A HREF = "#10_11">Region styles</A><BR>
10.12 <A HREF = "#10_12">Thermodynamic output options</A><BR>
10.13 <A HREF = "#10_13">Variable options</A><BR>
10.14 <A HREF = "#10_14">Submitting new features for inclusion in LAMMPS</A> <BR>
10.1 <A HREF = "#mod_1">Atom styles</A><BR>
10.2 <A HREF = "#mod_2">Bond, angle, dihedral, improper potentials</A><BR>
10.3 <A HREF = "#mod_3">Compute styles</A><BR>
10.4 <A HREF = "#mod_4">Dump styles</A><BR>
10.5 <A HREF = "#mod_5">Dump custom output options</A><BR>
10.6 <A HREF = "#mod_6">Fix styles</A> which include integrators, temperature and pressure control, force constraints, boundary conditions, diagnostic output, etc<BR>
10.7 <A HREF = "mod_7">Input script commands</A><BR>
10.8 <A HREF = "#mod_8">Kspace computations</A><BR>
10.9 <A HREF = "#mod_9">Minimization styles</A><BR>
10.10 <A HREF = "#mod_10">Pairwise potentials</A><BR>
10.11 <A HREF = "#mod_11">Region styles</A><BR>
10.12 <A HREF = "#mod_12">Thermodynamic output options</A><BR>
10.13 <A HREF = "#mod_13">Variable options</A><BR>
10.14 <A HREF = "#mod_14">Submitting new features for inclusion in LAMMPS</A> <BR>
<HR>
<HR>
<A NAME = "10_1"></A><H4>10.1 Atom styles
<A NAME = "mod_1"></A><H4>10.1 Atom styles
</H4>
<P>Classes that define an atom style are derived from the Atom class.
The atom style determines what quantities are associated with an atom.
@ -190,7 +190,7 @@ modify.
</P>
<HR>
<A NAME = "10_2"></A><H4>10.2 Bond, angle, dihedral, improper potentials
<A NAME = "mod_2"></A><H4>10.2 Bond, angle, dihedral, improper potentials
</H4>
<P>Classes that compute molecular interactions are derived from the Bond,
Angle, Dihedral, and Improper classes. New styles can be created to
@ -214,7 +214,7 @@ details.
<HR>
<A NAME = "10_3"></A><H4>10.3 Compute styles
<A NAME = "mod_3"></A><H4>10.3 Compute styles
</H4>
<P>Classes that compute scalar and vector quantities like temperature
and the pressure tensor, as well as classes that compute per-atom
@ -242,9 +242,9 @@ class. See compute.h for details.
<HR>
<A NAME = "10_4"></A><H4>10.4 Dump styles
<A NAME = "mod_4"></A><H4>10.4 Dump styles
</H4>
<A NAME = "10_5"></A><H4>10.5 Dump custom output options
<A NAME = "mod_5"></A><H4>10.5 Dump custom output options
</H4>
<P>Classes that dump per-atom info to files are derived from the Dump
class. To dump new quantities or in a new format, a new derived dump
@ -275,7 +275,7 @@ half-dozen or so locations where code will need to be added.
</P>
<HR>
<A NAME = "10_6"></A><H4>10.6 Fix styles
<A NAME = "mod_6"></A><H4>10.6 Fix styles
</H4>
<P>In LAMMPS, a "fix" is any operation that is computed during
timestepping that alters some property of the system. Essentially
@ -353,7 +353,7 @@ quantities and/or to be summed to the potential energy of the system.
</P>
<HR>
<A NAME = "10_7"></A><H4>10.7 Input script commands
<A NAME = "mod_7"></A><H4>10.7 Input script commands
</H4>
<P>New commands can be added to LAMMPS input scripts by adding new
classes that have a "command" method. For example, the create_atoms,
@ -375,7 +375,7 @@ needed.
</P>
<HR>
<A NAME = "10_8"></A><H4>10.8 Kspace computations
<A NAME = "mod_8"></A><H4>10.8 Kspace computations
</H4>
<P>Classes that compute long-range Coulombic interactions via K-space
representations (Ewald, PPPM) are derived from the KSpace class. New
@ -395,7 +395,7 @@ class. See kspace.h for details.
<HR>
<A NAME = "10_9"></A><H4>10.9 Minimization styles
<A NAME = "mod_9"></A><H4>10.9 Minimization styles
</H4>
<P>Classes that perform energy minimization derived from the Min class.
New styles can be created to add new minimization algorithms to
@ -414,7 +414,7 @@ class. See min.h for details.
<HR>
<A NAME = "10_10"></A><H4>10.10 Pairwise potentials
<A NAME = "mod_10"></A><H4>10.10 Pairwise potentials
</H4>
<P>Classes that compute pairwise interactions are derived from the Pair
class. In LAMMPS, pairwise calculation include manybody potentials
@ -443,7 +443,7 @@ includes some optional methods to enable its use with rRESPA.
</P>
<HR>
<A NAME = "10_11"></A><H4>10.11 Region styles
<A NAME = "mod_11"></A><H4>10.11 Region styles
</H4>
<P>Classes that define geometric regions are derived from the Region
class. Regions are used elsewhere in LAMMPS to group atoms, delete
@ -461,7 +461,7 @@ class. See region.h for details.
<HR>
<A NAME = "10_12"></A><H4>10.12 Thermodynamic output options
<A NAME = "mod_12"></A><H4>10.12 Thermodynamic output options
</H4>
<P>There is one class that computes and prints thermodynamic information
to the screen and log file; see the file thermo.cpp.
@ -490,7 +490,7 @@ by adding a new keyword to the thermo command.
</P>
<HR>
<A NAME = "10_13"></A><H4>10.13 Variable options
<A NAME = "mod_13"></A><H4>10.13 Variable options
</H4>
<P>There is one class that computes and stores <A HREF = "variable.html">variable</A>
information in LAMMPS; see the file variable.cpp. The value
@ -532,7 +532,7 @@ then be accessed by variables) was discussed
<HR>
<A NAME = "10_14"></A><H4>10.14 Submitting new features for inclusion in LAMMPS
<A NAME = "mod_14"></A><H4>10.14 Submitting new features for inclusion in LAMMPS
</H4>
<P>We encourage users to submit new features that they add to LAMMPS to
<A HREF = "http://lammps.sandia.gov/authors.html">the developers</A>, especially if