diff --git a/doc/Eqs/pair_airebo.tex b/doc/Eqs/pair_airebo.tex
new file mode 100644
index 0000000000..6c40b2ef58
--- /dev/null
+++ b/doc/Eqs/pair_airebo.tex
@@ -0,0 +1,11 @@
+\documentclass[12pt]{article}
+
+\begin{document}
+
+$$
+ E = \frac{1}{2} \sum_i \sum_{j \neq i}
+ \left[ E^{REBO}_{ij} + E^{LJ}_{ij} +
+ \sum_{k \neq i,j} \sum_{l \neq i,j,k} E^{TORSION}_{kijl} \right]
+$$
+
+\end{document}
\ No newline at end of file
diff --git a/doc/Section_history.html b/doc/Section_history.html
index bced3bb538..2175446e68 100644
--- a/doc/Section_history.html
+++ b/doc/Section_history.html
@@ -31,12 +31,13 @@ GranFlow for granular materials.
are being worked on; some haven't been implemented because of lack of
time or interest; others are just a lot of work!
-- Monte Carlo bond-swapping for polymers (was in Fortran LAMMPS)
+
- more complete per-atom energy and stress computations
+
- Monte Carlo bond-swapping for polymers (was in Fortran LAMMPS)
- torsional shear boundary conditions and temperature calculation
- NPT with changing box shape (Parinello-Rahman)
- bond creation potentials
- long-range point dipole solver
-
- REBO bond-order potential
+
- charge equilibration
- ReaxFF force field from Bill Goddard's group
diff --git a/doc/Section_history.txt b/doc/Section_history.txt
index 4c576665cb..9223e2dbf1 100644
--- a/doc/Section_history.txt
+++ b/doc/Section_history.txt
@@ -28,12 +28,13 @@ These are new features we'd like to eventually add to LAMMPS. Some
are being worked on; some haven't been implemented because of lack of
time or interest; others are just a lot of work!
+more complete per-atom energy and stress computations
Monte Carlo bond-swapping for polymers (was in Fortran LAMMPS)
torsional shear boundary conditions and temperature calculation
NPT with changing box shape (Parinello-Rahman)
bond creation potentials
long-range point dipole solver
-REBO bond-order potential
+charge equilibration
ReaxFF force field from Bill Goddard's group :ul
:line
diff --git a/doc/Section_intro.html b/doc/Section_intro.html
index a7dbc17f3e..5f3295ef0d 100644
--- a/doc/Section_intro.html
+++ b/doc/Section_intro.html
@@ -129,9 +129,10 @@ commands)
- dihedral potentials: harmonic, CHARMM, multi-harmonic, helix, class 2 (COMPASS), OPLS
- improper potentials: harmonic, cvff, class 2 (COMPASS)
- hybrid potentials: multiple pair, bond, angle, dihedral, improper potentials can be used in one simlulation
+
- overlayed potentials: multiple pair potentials can be superposed
- polymer potentials: all-atom, united-atom, bead-spring, breakable
- water potentials: TIP3P, TIP4P, SPC
-
- long-range Coulombics: Ewald, PPPM (similar to particle-mesh Ewald)
+
- long-range Coulombics and dispersion: Ewald, PPPM (similar to particle-mesh Ewald), Ewald/N for long-range Lennard-Jones
- CHARMM, AMBER, OPLS force-field compatibility
Creation of atoms:
@@ -181,8 +182,10 @@ commands)
- log file of thermodynanmic info
- text dump files of atom coords, velocities, other per-atom quantities
- binary restart files
-
- per-atom energy, stress, centro-symmetry parameter
+
- per-atom quantities (energy, stress, centro-symmetry parameter, etc)
- user-defined system-wide (log file) or per-atom (dump file) calculations
+
- spatial and time averaging of per-atom quantities
+
- time averaging of system-wide quantities
- atom snapshots in native, XYZ, XTC, DCD formats
Pre- and post-processing:
diff --git a/doc/Section_intro.txt b/doc/Section_intro.txt
index 983036a817..e411358bd7 100644
--- a/doc/Section_intro.txt
+++ b/doc/Section_intro.txt
@@ -130,9 +130,11 @@ commands)
improper potentials: harmonic, cvff, class 2 (COMPASS)
hybrid potentials: multiple pair, bond, angle, dihedral, improper \
potentials can be used in one simlulation
+ overlayed potentials: multiple pair potentials can be superposed
polymer potentials: all-atom, united-atom, bead-spring, breakable
water potentials: TIP3P, TIP4P, SPC
- long-range Coulombics: Ewald, PPPM (similar to particle-mesh Ewald)
+ long-range Coulombics and dispersion: Ewald, \
+ PPPM (similar to particle-mesh Ewald), Ewald/N for long-range Lennard-Jones
CHARMM, AMBER, OPLS force-field compatibility :ul
Creation of atoms: :h4
@@ -178,8 +180,10 @@ Output: :h4
log file of thermodynanmic info
text dump files of atom coords, velocities, other per-atom quantities
binary restart files
- per-atom energy, stress, centro-symmetry parameter
+ per-atom quantities (energy, stress, centro-symmetry parameter, etc)
user-defined system-wide (log file) or per-atom (dump file) calculations
+ spatial and time averaging of per-atom quantities
+ time averaging of system-wide quantities
atom snapshots in native, XYZ, XTC, DCD formats :ul
Pre- and post-processing: :h4