diff --git a/doc/Section_intro.html b/doc/Section_intro.html index a290ab4d1d..59d0266645 100644 --- a/doc/Section_intro.html +++ b/doc/Section_intro.html @@ -451,66 +451,65 @@ features in LAMMPS:
-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 -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) |
fix deform | Pieter in 't Veld (Sandia) |
NEMD SLLOD integration | Pieter in 't Veld (Sandia) |
pymol_asphere viz tool | Mike Brown (Sandia) |