Commit 9c88bf82 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6826 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent b0f68420

doc/Section_accelerate.html

+3 −0
Original line number Diff line number Diff line
@@ -275,6 +275,9 @@ many timesteps, to run entirely on the GPU (except for inter-processor 
MPI communication), so that atom-based data (e.g. coordinates, forces)

do not have to move back-and-forth between the CPU and GPU. 



<LI>The speed-up advantage of this approach is typically better when the

number of atoms per GPU is large 



<LI>Data will stay on the GPU until a timestep where a non-GPU-ized fix or

compute is invoked.  Whenever a non-GPU operation occurs (fix,

compute, output), data automatically moves back to the CPU as needed.

doc/Section_intro.html

+1 −1
Original line number Diff line number Diff line
@@ -554,7 +554,7 @@ the list. 
<TR><TD >GROMACS pair potentials </TD><TD > Mark Stevens (Sandia)</TD></TR>

<TR><TD >lmp2vmd tool </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>

<TR><TD >compute group/group </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>

<TR><TD >CG-CMM user package for coarse-graining </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>

<TR><TD >USER-CG-CMM package for coarse-graining </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>

<TR><TD >cosine/delta angle potential </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>

<TR><TD >VIM editor add-ons for LAMMPS input scripts </TD><TD > Gerolf Ziegenhain</TD></TR>

<TR><TD >pair lubricate </TD><TD > Randy Schunk (Sandia)</TD></TR>

doc/Section_intro.txt

+1 −1
Original line number Diff line number Diff line
@@ -539,7 +539,7 @@ fix smd for steered MD : Axel Kohlmeyer (U Penn) 
GROMACS pair potentials : Mark Stevens (Sandia)

lmp2vmd tool : Axel Kohlmeyer (U Penn)

compute group/group : Naveen Michaud-Agrawal (Johns Hopkins U)

CG-CMM user package for coarse-graining : Axel Kohlmeyer (U Penn)

USER-CG-CMM package for coarse-graining : Axel Kohlmeyer (U Penn)

cosine/delta angle potential : Axel Kohlmeyer (U Penn)

VIM editor add-ons for LAMMPS input scripts : Gerolf Ziegenhain

pair lubricate : Randy Schunk (Sandia)

doc/Section_packages.html

+19 −19
Original line number Diff line number Diff line
@@ -40,25 +40,25 @@ packages, more details are provided. 
<P>The current list of standard packages is as follows:

</P>

<DIV ALIGN=center><TABLE  BORDER=1 >

<TR><TD >asphere </TD><TD > aspherical particles and force fields</TD></TR>

<TR><TD >class2 </TD><TD > class 2 force fields</TD></TR>

<TR><TD >colloid </TD><TD > colloidal particle force fields</TD></TR>

<TR><TD >dipole </TD><TD > point dipole particles and force fields</TD></TR>

<TR><TD >gpu </TD><TD > GPU-enabled force field styles</TD></TR>

<TR><TD >granular </TD><TD > force fields and boundary conditions for granular systems</TD></TR>

<TR><TD >kspace </TD><TD > long-range Ewald and particle-mesh (PPPM) solvers</TD></TR>

<TR><TD >manybody </TD><TD > metal, 3-body, bond-order potentials</TD></TR>

<TR><TD >meam </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>

<TR><TD >mc </TD><TD > Monte Carlo options</TD></TR>

<TR><TD >molecule </TD><TD > force fields for molecular systems</TD></TR>

<TR><TD >opt </TD><TD > optimized versions of a few pair potentials</TD></TR>

<TR><TD >peri </TD><TD > Peridynamics model and potential</TD></TR>

<TR><TD >poems </TD><TD > coupled rigid body motion</TD></TR>

<TR><TD >reax </TD><TD > ReaxFF potential</TD></TR>

<TR><TD >replica </TD><TD > multi-replica methods</TD></TR>

<TR><TD >shock </TD><TD > methods for MD simulations of shock loading</TD></TR>

<TR><TD >srd </TD><TD > stochastic rotation dynamics (SRD)</TD></TR>

<TR><TD >xtc </TD><TD > dump atom snapshots in XTC format</TD></TR>

<TR><TD >ASPHERE </TD><TD > aspherical particles and force fields</TD></TR>

<TR><TD >CLASS2 </TD><TD > class 2 force fields</TD></TR>

<TR><TD >COLLOID </TD><TD > colloidal particle force fields</TD></TR>

<TR><TD >DIPOLE </TD><TD > point dipole particles and force fields</TD></TR>

<TR><TD >GPU </TD><TD > GPU-enabled force field styles</TD></TR>

<TR><TD >GRANULAR </TD><TD > force fields and boundary conditions for granular systems</TD></TR>

<TR><TD >KSPACE </TD><TD > long-range Ewald and particle-mesh (PPPM) solvers</TD></TR>

<TR><TD >MANYBODY </TD><TD > metal, 3-body, bond-order potentials</TD></TR>

<TR><TD >MEAM </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>

<TR><TD >MC </TD><TD > Monte Carlo options</TD></TR>

<TR><TD >MOLECULE </TD><TD > force fields for molecular systems</TD></TR>

<TR><TD >OPT </TD><TD > optimized versions of a few pair potentials</TD></TR>

<TR><TD >PERI </TD><TD > Peridynamics model and potential</TD></TR>

<TR><TD >POEMS </TD><TD > coupled rigid body motion</TD></TR>

<TR><TD >REAX </TD><TD > ReaxFF potential</TD></TR>

<TR><TD >REPLICA </TD><TD > multi-replica methods</TD></TR>

<TR><TD >SHOCK </TD><TD > methods for MD simulations of shock loading</TD></TR>

<TR><TD >SRD </TD><TD > stochastic rotation dynamics (SRD)</TD></TR>

<TR><TD >XTC </TD><TD > dump atom snapshots in XTC format</TD></TR>

<TR><TD >

</TD></TR></TABLE></DIV>

doc/Section_packages.txt

+19 −19
Original line number Diff line number Diff line
@@ -35,25 +35,25 @@ packages, more details are provided. 


The current list of standard packages is as follows:



asphere : aspherical particles and force fields

class2 : class 2 force fields

colloid : colloidal particle force fields

dipole : point dipole particles and force fields

gpu : GPU-enabled force field styles

granular : force fields and boundary conditions for granular systems

kspace : long-range Ewald and particle-mesh (PPPM) solvers

manybody : metal, 3-body, bond-order potentials

meam : modified embedded atom method (MEAM) potential

mc : Monte Carlo options

molecule : force fields for molecular systems

opt : optimized versions of a few pair potentials

peri : Peridynamics model and potential

poems : coupled rigid body motion

reax : ReaxFF potential

replica : multi-replica methods

shock : methods for MD simulations of shock loading

srd : stochastic rotation dynamics (SRD)

xtc : dump atom snapshots in XTC format

ASPHERE : aspherical particles and force fields

CLASS2 : class 2 force fields

COLLOID : colloidal particle force fields

DIPOLE : point dipole particles and force fields

GPU : GPU-enabled force field styles

GRANULAR : force fields and boundary conditions for granular systems

KSPACE : long-range Ewald and particle-mesh (PPPM) solvers

MANYBODY : metal, 3-body, bond-order potentials

MEAM : modified embedded atom method (MEAM) potential

MC : Monte Carlo options

MOLECULE : force fields for molecular systems

OPT : optimized versions of a few pair potentials

PERI : Peridynamics model and potential

POEMS : coupled rigid body motion

REAX : ReaxFF potential

REPLICA : multi-replica methods

SHOCK : methods for MD simulations of shock loading

SRD : stochastic rotation dynamics (SRD)

XTC : dump atom snapshots in XTC format

:tb(s=:)



:line

CRA Git | Maintained and supported by SUSTech CRA and CCSE