git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6311 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-06-07 17:05:36 +00:00
parent 0f2312cafb
commit 44ec8f6dd1
4 changed files with 6 additions and 14 deletions

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@ -139,7 +139,7 @@ commands)
</P> </P>
<UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Born-Mayer-Huggins, Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated <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> 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> electron force field (eFF)
<LI> coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO <LI> coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
<LI> mesoscopic potentials: granular, Peridynamics <LI> mesoscopic potentials: granular, Peridynamics
@ -559,7 +559,7 @@ the list.
<TR><TD >pair lubricate </TD><TD > Randy Schunk (Sandia)</TD></TR> <TR><TD >pair lubricate </TD><TD > Randy Schunk (Sandia)</TD></TR>
<TR><TD >compute ackland/atom </TD><TD > Gerolf Zeigenhain</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 >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 >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 >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> <TR><TD >NEMD SLLOD integration </TD><TD > Pieter in 't Veld (Sandia)</TD></TR>

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@ -136,7 +136,7 @@ commands)
Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated
charged pairwise potentials: Coulombic, point-dipole charged pairwise potentials: Coulombic, point-dipole
manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \ 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) electron force field (eFF)
coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
mesoscopic potentials: granular, Peridynamics mesoscopic potentials: granular, Peridynamics
@ -545,7 +545,7 @@ pair lubricate : Randy Schunk (Sandia)
compute ackland/atom : Gerolf Zeigenhain compute ackland/atom : Gerolf Zeigenhain
kspace_style ewald/n, pair_style lj/coul, pair_style buck/coul : \ kspace_style ewald/n, pair_style lj/coul, pair_style buck/coul : \
Pieter in 't Veld (Sandia) 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, \ making LAMMPS a true "object" that can be instantiated multiple times, \
e.g. as a library : Ben FrantzDale (RPI) e.g. as a library : Ben FrantzDale (RPI)
pymol_asphere viz tool : Mike Brown (Sandia) pymol_asphere viz tool : Mike Brown (Sandia)

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@ -116,11 +116,7 @@ other potentials.
<P>The parameters/coefficients for the AIREBO potentials are listed in <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> 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 paper. Thus the parameters are specific to this potential and the way
it was fit, so modifying the file should be done cautiously. Also it was fit, so modifying the file should be done cautiously.
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.
</P> </P>
<HR> <HR>

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@ -112,11 +112,7 @@ other potentials.
The parameters/coefficients for the AIREBO potentials are listed in The parameters/coefficients for the AIREBO potentials are listed in
the CH.airebo file to agree with the original "(Stuart)"_#Stuart the CH.airebo file to agree with the original "(Stuart)"_#Stuart
paper. Thus the parameters are specific to this potential and the way paper. Thus the parameters are specific to this potential and the way
it was fit, so modifying the file should be done cautiously. Also it was fit, so modifying the file should be done cautiously.
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.
:line :line