pdf conversion in c# : Extracting data from pdf forms Library software API .net winforms wpf sharepoint italy_modify_Mar141-part1243

Style classes
90% of source code is extensions via 14styles
See src/style*.h or grep CLASS *.h
Easy for developers and users to add new features:
particle types =atomstyle
force elds =pair,bond,angle,dihedral,improperstyles
long range =kspace style
x =xstyle = BC, constraint, time integration, ...
diagnostics =computestyle
geometric region =region style
integrator =integrate style (Verlet, rRESPA)
minimizer =minstyle
snapshot output =
dumpstyle
input command =command style = read
data, velocity, run
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Other code details
Pointers=ultimatebaseclass
all classes (except LAMMPS) derive from it
holds pointers to all core classes
enables easy access anywhere in code
domain!xprd for x box-length
Everything insideLAMMPS
NS namespace
no external (global) variables
allows multiple instantiations of LAMMPS
C# Word: How to Extract Text from C# Word in .NET Project
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Other code details
Pointers=ultimatebaseclass
all classes (except LAMMPS) derive from it
holds pointers to all core classes
enables easy access anywhere in code
domain!xprd for x box-length
Everything insideLAMMPS
NS namespace
no external (global) variables
allows multiple instantiations of LAMMPS
MPI communicators
pass in from main() or thru library interface asworld
enables a LAMMPS instantiation to run on any set of procs
universeclasspartitionsallocationintomultipleworlds
enables multiple simulations to run simultaneously
C++vs Fortran
pre-2004 LAMMPS was in Fortran
re-wrote in C++ for  exibility in adding new features
very little fancy C++ (templating, STL, etc)
core kernels are C-like, so coding style is really OO C
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4ways to extend LAMMPS
1
Add new styles
sky is the limit!
2
Add code to existing les
3
Add new elds to data le as atom properties
4
Add methods to the library interface
really \extending" external to LAMMPS
Extending LAMMPS via styles
Again, 90% of source code is extensions via 14styles
Enabled by C++
virtual parent classdenesinterfacerestofLAMMPSuses
style = newchildclass implementing a few methods
Extending LAMMPS via styles
Again, 90% of source code is extensions via 14styles
Enabled by C++
virtual parent classdenesinterfacerestofLAMMPSuses
style = newchildclass implementing a few methods
Intheory:
just add new *.cpp and *.h le to src and re-compile
your new class will work with all LAMMPS functionality
your new class won’t break anything else
inpractice, theory and practice are not always the same
Extending LAMMPS via styles
Again, 90% of source code is extensions via 14styles
Enabled by C++
virtual parent classdenesinterfacerestofLAMMPSuses
style = newchildclass implementing a few methods
Intheory:
just add new *.cpp and *.h le to src and re-compile
your new class will work with all LAMMPS functionality
your new class won’t break anything else
inpractice, theory and practice are not always the same
Now discuss nuts & bolts, then show 5examples
How to write a new style
Seedoc/Section
modify.htmlforoverviewandkeymethods
How to write a new style
Seedoc/Section
modify.htmlforoverviewandkeymethods
Find anexistingstyle that does something similar
ask on mail list or send developers an email
especially important if you want to do something complex
does functionality you want already exist?
is it a good idea to do this in LAMMPS?
will it be parallel?
can advise you asto possiblegotchas
How to write a new style
Seedoc/Section
modify.htmlforoverviewandkeymethods
Find anexistingstyle that does something similar
ask on mail list or send developers an email
especially important if you want to do something complex
does functionality you want already exist?
is it a good idea to do this in LAMMPS?
will it be parallel?
can advise you asto possiblegotchas
Decide which style is most appropriate
computescalculateatonetimestep
xescanaltersomethingduringtimestep
xescanmaintaininfofromtimesteptotimestep
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