forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6311 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
0f2312cafb
commit
44ec8f6dd1
|
@ -139,7 +139,7 @@ commands)
|
|||
</P>
|
||||
<UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Born-Mayer-Huggins, Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated
|
||||
<LI> charged pairwise potentials: Coulombic, point-dipole
|
||||
<LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), embedded ion method (EIM), Stillinger-Weber, Tersoff, AI-REBO, ReaxFF, COMB
|
||||
<LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), embedded ion method (EIM), Stillinger-Weber, Tersoff, REBO, AIREBO, ReaxFF, COMB
|
||||
<LI> electron force field (eFF)
|
||||
<LI> coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
|
||||
<LI> mesoscopic potentials: granular, Peridynamics
|
||||
|
@ -559,7 +559,7 @@ the list.
|
|||
<TR><TD >pair lubricate </TD><TD > Randy Schunk (Sandia)</TD></TR>
|
||||
<TR><TD >compute ackland/atom </TD><TD > Gerolf Zeigenhain</TD></TR>
|
||||
<TR><TD >kspace_style ewald/n, pair_style lj/coul, pair_style buck/coul </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
<TR><TD >AI-REBO bond-order potential </TD><TD > Ase Henry (MIT)</TD></TR>
|
||||
<TR><TD >AIREBO bond-order potential </TD><TD > Ase Henry (MIT)</TD></TR>
|
||||
<TR><TD >making LAMMPS a true "object" that can be instantiated multiple times, e.g. as a library </TD><TD > Ben FrantzDale (RPI)</TD></TR>
|
||||
<TR><TD >pymol_asphere viz tool </TD><TD > Mike Brown (Sandia)</TD></TR>
|
||||
<TR><TD >NEMD SLLOD integration </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>
|
||||
|
|
|
@ -136,7 +136,7 @@ commands)
|
|||
Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated
|
||||
charged pairwise potentials: Coulombic, point-dipole
|
||||
manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \
|
||||
embedded ion method (EIM), Stillinger-Weber, Tersoff, AI-REBO, ReaxFF, COMB
|
||||
embedded ion method (EIM), Stillinger-Weber, Tersoff, REBO, AIREBO, ReaxFF, COMB
|
||||
electron force field (eFF)
|
||||
coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
|
||||
mesoscopic potentials: granular, Peridynamics
|
||||
|
@ -545,7 +545,7 @@ pair lubricate : Randy Schunk (Sandia)
|
|||
compute ackland/atom : Gerolf Zeigenhain
|
||||
kspace_style ewald/n, pair_style lj/coul, pair_style buck/coul : \
|
||||
Pieter in 't Veld (Sandia)
|
||||
AI-REBO bond-order potential : Ase Henry (MIT)
|
||||
AIREBO bond-order potential : Ase Henry (MIT)
|
||||
making LAMMPS a true "object" that can be instantiated multiple times, \
|
||||
e.g. as a library : Ben FrantzDale (RPI)
|
||||
pymol_asphere viz tool : Mike Brown (Sandia)
|
||||
|
|
|
@ -116,11 +116,7 @@ other potentials.
|
|||
<P>The parameters/coefficients for the AIREBO potentials are listed in
|
||||
the CH.airebo file to agree with the original <A HREF = "#Stuart">(Stuart)</A>
|
||||
paper. Thus the parameters are specific to this potential and the way
|
||||
it was fit, so modifying the file should be done cautiously. Also
|
||||
note that the E_LJ and E_TORSION terms in AIREBO are intended to be
|
||||
used with the E_REBO term and not as stand-alone potentials. Thus we
|
||||
don't suggest you use pair_style airebo with the E_REBO term turned
|
||||
off.
|
||||
it was fit, so modifying the file should be done cautiously.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
|
@ -112,11 +112,7 @@ other potentials.
|
|||
The parameters/coefficients for the AIREBO potentials are listed in
|
||||
the CH.airebo file to agree with the original "(Stuart)"_#Stuart
|
||||
paper. Thus the parameters are specific to this potential and the way
|
||||
it was fit, so modifying the file should be done cautiously. Also
|
||||
note that the E_LJ and E_TORSION terms in AIREBO are intended to be
|
||||
used with the E_REBO term and not as stand-alone potentials. Thus we
|
||||
don't suggest you use pair_style airebo with the E_REBO term turned
|
||||
off.
|
||||
it was fit, so modifying the file should be done cautiously.
|
||||
|
||||
:line
|
||||
|
||||
|
|
Loading…
Reference in New Issue