Commit d688fca9 authored by peastman's avatar peastman
Browse files

Jason's fixes to documentation

parent 4995e754
......@@ -131,7 +131,7 @@ Each torsion is represented by an energy term of the form
where :math:`\theta` is the dihedral angle formed by the four particles, :math:`\theta_0`
is the equilibrium angle, *n* is the periodicity, and *k* is
is the phase offset, *n* is the periodicity, and *k* is
the force constant.
RBTorsionForce
......@@ -205,7 +205,7 @@ second derivatives at both ends
When an exception has been added for a pair of particles, :math:`\sigma` and :math:`\epsilon`
are the parameters specified by the exception. Otherwise they are determined
from the parameters of the individual particles using the Lorentz-Bertelot
from the parameters of the individual particles using the Lorentz-Berthelot
combining rule:
.. math::
......@@ -458,14 +458,14 @@ between particles *i* and *j*\ . :math:`f_\text{GB}(d_{ij}, R_i, R_j)` is defin
.. math::
{f}_{\text{GB}}\left({d}_{ij},{R}_{i},{R}_{j}\right)={\left[{d}_{{ij}^{2}}+{R}_{i}{R}_{j}\text{exp}\left(\frac{-{d}_{ij}}{{4R}_{i}{R}_{j}}\right)\right]}^{1/2}
{f}_{\text{GB}}\left({d}_{ij},{R}_{i},{R}_{j}\right)={\left[{d}_{ij}^2+{R}_{i}{R}_{j}\text{exp}\left(\frac{-{d}_{ij}^2}{{4R}_{i}{R}_{j}}\right)\right]}^{1/2}
:math:`R_i` is the Born radius of particle *i*\ , which calculated as
.. math::
R_i=\frac{1}{\rho_i^{-1}-r_i^{-1}\text{tanh}\left(\alpha \Psi_{i}-{\beta \Psi}_{{i}^{2}}+{\gamma \Psi}_{{i}^{3}}\right)}
R_i=\frac{1}{\rho_i^{-1}-r_i^{-1}\text{tanh}\left(\alpha \Psi_{i}-{\beta \Psi}_i^2+{\gamma \Psi}_i^3\right)}
where :math:`\alpha`, :math:`\beta`, and :math:`\gamma` are the GB\ :sup:`OBC`\ II parameters :math:`\alpha` = 1, :math:`\beta` = 0.8, and :math:`\gamma` =
......@@ -622,7 +622,7 @@ weight function
where :math:`\Delta E` is the change in potential energy resulting from the step,
\ *P* is the system pressure, *N* is the number of molecules in the
\ *P* is the pressure being applied to the system, *N* is the number of molecules in the
system, :math:`k_B` is Boltzmann’s constant, and *T* is the system
temperature. In particular, if :math:`\Delta W\le 0` the step is always accepted.
If :math:`\Delta W > 0`\ , the step is accepted with probability
......
......@@ -46,7 +46,7 @@ namespace OpenMM {
* This class implements nonbonded interactions between particles, including a Coulomb force to represent
* electrostatics and a Lennard-Jones force to represent van der Waals interactions. It optionally supports
* periodic boundary conditions and cutoffs for long range interactions. Lennard-Jones interactions are
* calculated with the Lorentz-Bertelot combining rule: it uses the arithmetic mean of the sigmas and the
* calculated with the Lorentz-Berthelot combining rule: it uses the arithmetic mean of the sigmas and the
* geometric mean of the epsilons for the two interacting particles.
*
* To use this class, create a NonbondedForce object, then call addParticle() once for each particle in the
......@@ -221,7 +221,7 @@ public:
* Add the nonbonded force parameters for a particle. This should be called once for each particle
* in the System. When it is called for the i'th time, it specifies the parameters for the i'th particle.
* For calculating the Lennard-Jones interaction between two particles, the arithmetic mean of the sigmas
* and the geometric mean of the epsilons for the two interacting particles is used (the Lorentz-Bertelot
* and the geometric mean of the epsilons for the two interacting particles is used (the Lorentz-Berthelot
* combining rule).
*
* @param charge the charge of the particle, measured in units of the proton charge
......@@ -242,7 +242,7 @@ public:
/**
* Set the nonbonded force parameters for a particle. When calculating the Lennard-Jones interaction between two particles,
* it uses the arithmetic mean of the sigmas and the geometric mean of the epsilons for the two interacting particles
* (the Lorentz-Bertelot combining rule).
* (the Lorentz-Berthelot combining rule).
*
* @param index the index of the particle for which to set parameters
* @param charge the charge of the particle, measured in units of the proton charge
......
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