forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@897 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
3695dc503c
commit
ff65ed829b
|
|
@ -451,66 +451,65 @@ features in LAMMPS:
|
|||
</P>
|
||||
|
||||
|
||||
Ewald and PPPM solvers: Roy Pollock (LLNL)
|
||||
rRESPA: Mark Stevens & Paul Crozier (Sandia)
|
||||
NVT/NPT integrators: Mark Stevens (Sandia)
|
||||
class 2 force fields: Eric Simon (Cray)
|
||||
HTFN energy minimizer: Todd Plantenga (Sandia)
|
||||
msi2lmp tool: Steve Lustig (Dupont), Mike Peachey & John Carpenter (Cray)
|
||||
CHARMM force fields: Paul Crozier (Sandia)
|
||||
2d Ewald/PPPM: Paul Crozier (Sandia)
|
||||
granular force fields and BC: Leo Silbert & Gary Grest (Sandia)
|
||||
multi-harmonic dihedral potential: Mathias Putz (Sandia)
|
||||
EAM potentials: Stephen Foiles (Sandia)
|
||||
parallel tempering: Mark Sears (Sandia)
|
||||
lmp2cfg and lmp2traj tools: Ara Kooser, Jeff Greathouse, Andrey Kalinichev (Sandia)
|
||||
FFT support for SGI SCLS (Altix): Jim Shepherd (Ga Tech)
|
||||
targeted molecular dynamics (TMD): Paul Crozier (Sandia), Christian Burisch (Bochum University, Germany)
|
||||
force tables for long-range Coulombics: Paul Crozier (Sandia)
|
||||
radial distribution functions: Paul Crozier & Jeff Greathouse (Sandia)
|
||||
Morse bond potential: Jeff Greathouse (Sandia)
|
||||
CHARMM <-> LAMMPS tool: Pieter in't Veld and Paul Crozier (Sandia)
|
||||
AMBER <-> LAMMPS tool: Keir Novik (Univ College London) and Vikas Varshney (U Akron)
|
||||
electric field fix: Christina Payne (Vanderbilt U)
|
||||
cylindrical indenter fix: Ravi Agrawal (Northwestern U)
|
||||
compressed dump files: Erik Luijten (U Illinois)
|
||||
thermodynamics enhanced by fix quantities: Aidan Thompson (Sandia)
|
||||
uniaxial strain fix: Carsten Svaneborg (Max Planck Institute)
|
||||
TIP4P potential (4-site water): Ahmed Ismail and Amalie Frischknecht (Sandia)
|
||||
dissipative particle dynamics (DPD) potentials: Kurt Smith (U Pitt) and Frank van Swol (Sandia)
|
||||
Finnis/Sinclair EAM: Tim Lau (MIT)
|
||||
helix dihedral potential : Naveen Michaud-Agrawal (Johns Hopkins U) and Mark Stevens (Sandia)
|
||||
cosine/squared angle potential : Naveen Michaud-Agrawal (Johns Hopkins U)
|
||||
EAM CoAl and AlCu potentials : Kwang-Reoul Lee (KIST, Korea)
|
||||
self spring fix : Naveen Michaud-Agrawal (Johns Hopkins U)
|
||||
radius-of-gyration spring fix : Naveen Michaud-Agrawal (Johns Hopkins U) and Paul Crozier (Sandia)
|
||||
lj/smooth pair potential : Craig Maloney (UCSB)
|
||||
grain boundary orientation fix : Koenraad Janssens and David Olmsted (SNL)
|
||||
DCD and XTC dump styles: Naveen Michaud-Agrawal (Johns Hopkins U)
|
||||
breakable bond quartic potential: Chris Lorenz and Mark Stevens (SNL)
|
||||
faster pair hybrid potential: James Fischer (High Performance Technologies, Inc), Vincent Natoli and David Richie (Stone Ridge Technology)
|
||||
POEMS coupled rigid body integrator: Rudranarayan Mukherjee (RPI)
|
||||
OPLS dihedral potential: Mark Stevens (Sandia)
|
||||
multi-letter variable names : Naveen Michaud-Agrawal (Johns Hopkins U)
|
||||
fix momentum and recenter : Naveen Michaud-Agrawal (Johns Hopkins U)
|
||||
LJ tail corrections for energy/pressure : Paul Crozier (Sandia)
|
||||
region prism : Pieter in't Veld (Sandia)
|
||||
Stillinger-Weber and Tersoff potentials : Aidan Thompson (Sandia)
|
||||
fix wall/lj126 : Mark Stevens (Sandia)
|
||||
optimized pair potentials for lj/cut, charmm/long, eam, morse : James Fischer (High Performance Tech), David Richie and Vincent Natol (Stone Ridge Technologies)
|
||||
MEAM potential : Greg Wagner (Sandia)
|
||||
fix ave/time and fix ave/spatial : Pieter in 't Veld (Sandia)
|
||||
thermo_extract tool: Vikas Varshney (Wright Patterson AFB)
|
||||
triclinic (non-orthogonal) simulation domains : Pieter in 't Veld (Sandia)
|
||||
MATLAB post-processing scripts : Arun Subramaniyan (Purdue)
|
||||
neighbor multi and communicate multi : Pieter in 't Veld (Sandia)
|
||||
fix heat : Paul Crozier and Ed Webb (Sandia)
|
||||
colloid potentials : Pieter in 't Veld (Sandia)
|
||||
ellipsoidal particles : Mike Brown (Sandia)
|
||||
GayBerne potential : Mike Brown (Sandia)
|
||||
tensile and shear box deformations
|
||||
|
||||
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
|
||||
<TR><TD >Ewald and PPPM solvers</TD><TD > Roy Pollock (LLNL)</TD></TR>
|
||||
<TR><TD >rRESPA</TD><TD > Mark Stevens & Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >NVT/NPT integrators</TD><TD > Mark Stevens (Sandia)</TD></TR>
|
||||
<TR><TD >class 2 force fields</TD><TD > Eric Simon (Cray)</TD></TR>
|
||||
<TR><TD >HTFN energy minimizer</TD><TD > Todd Plantenga (Sandia)</TD></TR>
|
||||
<TR><TD >msi2lmp tool</TD><TD > Steve Lustig (Dupont), Mike Peachey & John Carpenter (Cray)</TD></TR>
|
||||
<TR><TD >CHARMM force fields</TD><TD > Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >2d Ewald/PPPM</TD><TD > Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >granular force fields and BC</TD><TD > Leo Silbert & Gary Grest (Sandia)</TD></TR>
|
||||
<TR><TD >multi-harmonic dihedral potential</TD><TD > Mathias Putz (Sandia)</TD></TR>
|
||||
<TR><TD >EAM potentials</TD><TD > Stephen Foiles (Sandia)</TD></TR>
|
||||
<TR><TD >parallel tempering</TD><TD > Mark Sears (Sandia)</TD></TR>
|
||||
<TR><TD >lmp2cfg and lmp2traj tools</TD><TD > Ara Kooser, Jeff Greathouse, Andrey Kalinichev (Sandia)</TD></TR>
|
||||
<TR><TD >FFT support for SGI SCLS (Altix)</TD><TD > Jim Shepherd (Ga Tech)</TD></TR>
|
||||
<TR><TD >targeted molecular dynamics (TMD)</TD><TD > Paul Crozier (Sandia), Christian Burisch (Bochum University, Germany)</TD></TR>
|
||||
<TR><TD >force tables for long-range Coulombics</TD><TD > Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >radial distribution functions</TD><TD > Paul Crozier & Jeff Greathouse (Sandia)</TD></TR>
|
||||
<TR><TD >Morse bond potential</TD><TD > Jeff Greathouse (Sandia)</TD></TR>
|
||||
<TR><TD >CHARMM <-> LAMMPS tool</TD><TD > Pieter in't Veld and Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >AMBER <-> LAMMPS tool</TD><TD > Keir Novik (Univ College London) and Vikas Varshney (U Akron)</TD></TR>
|
||||
<TR><TD >electric field fix</TD><TD > Christina Payne (Vanderbilt U)</TD></TR>
|
||||
<TR><TD >cylindrical indenter fix</TD><TD > Ravi Agrawal (Northwestern U)</TD></TR>
|
||||
<TR><TD >compressed dump files</TD><TD > Erik Luijten (U Illinois)</TD></TR>
|
||||
<TR><TD >thermodynamics enhanced by fix quantities</TD><TD > Aidan Thompson (Sandia)</TD></TR>
|
||||
<TR><TD >uniaxial strain fix</TD><TD > Carsten Svaneborg (Max Planck Institute)</TD></TR>
|
||||
<TR><TD >TIP4P potential (4-site water)</TD><TD > Ahmed Ismail and Amalie Frischknecht (Sandia)</TD></TR>
|
||||
<TR><TD >dissipative particle dynamics (DPD) potentials</TD><TD > Kurt Smith (U Pitt) and Frank van Swol (Sandia)</TD></TR>
|
||||
<TR><TD >Finnis/Sinclair EAM</TD><TD > Tim Lau (MIT)</TD></TR>
|
||||
<TR><TD >helix dihedral potential </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U) and Mark Stevens (Sandia)</TD></TR>
|
||||
<TR><TD >cosine/squared angle potential </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>
|
||||
<TR><TD >EAM CoAl and AlCu potentials </TD><TD > Kwang-Reoul Lee (KIST, Korea)</TD></TR>
|
||||
<TR><TD >self spring fix </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>
|
||||
<TR><TD >radius-of-gyration spring fix </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U) and Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >lj/smooth pair potential </TD><TD > Craig Maloney (UCSB) </TD></TR>
|
||||
<TR><TD >grain boundary orientation fix </TD><TD > Koenraad Janssens and David Olmsted (SNL)</TD></TR>
|
||||
<TR><TD >DCD and XTC dump styles</TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>
|
||||
<TR><TD >breakable bond quartic potential</TD><TD > Chris Lorenz and Mark Stevens (SNL)</TD></TR>
|
||||
<TR><TD >faster pair hybrid potential</TD><TD > James Fischer (High Performance Technologies, Inc), Vincent Natoli and David Richie (Stone Ridge Technology)</TD></TR>
|
||||
<TR><TD >POEMS coupled rigid body integrator</TD><TD > Rudranarayan Mukherjee (RPI)</TD></TR>
|
||||
<TR><TD >OPLS dihedral potential</TD><TD > Mark Stevens (Sandia)</TD></TR>
|
||||
<TR><TD >multi-letter variable names </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>
|
||||
<TR><TD >fix momentum and recenter </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>
|
||||
<TR><TD >LJ tail corrections for energy/pressure </TD><TD > Paul Crozier (Sandia)</TD></TR>
|
||||
<TR><TD >region prism </TD><TD > Pieter in't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >Stillinger-Weber and Tersoff potentials </TD><TD > Aidan Thompson (Sandia)</TD></TR>
|
||||
<TR><TD >fix wall/lj126 </TD><TD > Mark Stevens (Sandia)</TD></TR>
|
||||
<TR><TD >optimized pair potentials for lj/cut, charmm/long, eam, morse </TD><TD > James Fischer (High Performance Tech), David Richie and Vincent Natol (Stone Ridge Technologies)</TD></TR>
|
||||
<TR><TD >MEAM potential </TD><TD > Greg Wagner (Sandia)</TD></TR>
|
||||
<TR><TD >fix ave/time and fix ave/spatial </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >thermo_extract tool</TD><TD > Vikas Varshney (Wright Patterson AFB)</TD></TR>
|
||||
<TR><TD >triclinic (non-orthogonal) simulation domains </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >MATLAB post-processing scripts </TD><TD > Arun Subramaniyan (Purdue)</TD></TR>
|
||||
<TR><TD >neighbor multi and communicate multi </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >fix heat </TD><TD > Paul Crozier and Ed Webb (Sandia)</TD></TR>
|
||||
<TR><TD >colloid potentials </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >ellipsoidal particles </TD><TD > Mike Brown (Sandia)</TD></TR>
|
||||
<TR><TD >GayBerne potential </TD><TD > Mike Brown (Sandia)</TD></TR>
|
||||
<TR><TD >fix deform </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >NEMD SLLOD integration </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >pymol_asphere viz tool </TD><TD > Mike Brown (Sandia)
|
||||
</TD></TR></TABLE></DIV>
|
||||
|
|
|
|||
|
|
@ -499,7 +499,7 @@ fix heat : Paul Crozier and Ed Webb (Sandia)
|
|||
colloid potentials : Pieter in 't Veld (Sandia)
|
||||
ellipsoidal particles : Mike Brown (Sandia)
|
||||
GayBerne potential : Mike Brown (Sandia)
|
||||
tensile and shear box deformations :
|
||||
fix deform : Pieter in 't Veld (Sandia)
|
||||
NEMD SLLOD integration : Pieter in 't Veld (Sandia)
|
||||
pymol_asphere viz tool : Mike Brown (Sandia) :tb(s=:)
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue