From a5742a91471595aa7faa944ce614d8670e2b14ad Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 26 Dec 2022 16:45:49 -0500 Subject: [PATCH] make lepton package docs more consistent --- doc/src/angle_lepton.rst | 24 ++++++++++++------------ doc/src/bond_lepton.rst | 18 +++++++++--------- 2 files changed, 21 insertions(+), 21 deletions(-) diff --git a/doc/src/angle_lepton.rst b/doc/src/angle_lepton.rst index 7365dd9ed9..ea948c6a5f 100644 --- a/doc/src/angle_lepton.rst +++ b/doc/src/angle_lepton.rst @@ -29,12 +29,12 @@ Description .. versionadded:: TBD -Angle style *lepton* computes angular interactions between three atoms, -between which an angle has been defined, based on evaluating strings. -The potential function must be provided as an expression string using -"theta" as the angle variable relative to the reference angle -:math:`\theta_0` which is provided as an angle coefficient. For example -`"200.0*theta^2"` represents a harmonic potential with a force constant +Angle style *lepton* computes angular interactions between three atoms +with a custom potential function. The potential function must be +provided as an expression string using "theta" as the angle variable +relative to the reference angle :math:`\theta_0` which is provided as an +angle coefficient. For example `"200.0*theta^2"` represents a +:doc:`harmonic angle ` potential with a force constant *K* of 200.0 energy units: .. math:: @@ -42,11 +42,11 @@ The potential function must be provided as an expression string using U_{angle,i} = K (\theta_i - \theta_0)^2 = K \theta^2 \qquad \theta = \theta_i - \theta_0 The `Lepton library `_, that the -*lepton* angle style interfaces with, evaluates this expression string at -run time to compute the pairwise energy. It also creates an analytical -representation of the first derivative of this expression with respect to -"r" and then uses that to compute the force between the pairs atoms forming -angles as defined by the topology data. +*lepton* angle style interfaces with, evaluates this expression string +at run time to compute the pairwise energy. It also creates an +analytical representation of the first derivative of this expression +with respect to "theta" and then uses that to compute the force between +the angle atoms as defined by the topology data. The following coefficients must be defined for each angle type via the :doc:`angle_coeff ` command as in the example above, or in @@ -86,7 +86,7 @@ Related commands """""""""""""""" :doc:`angle_coeff `, :doc:`angle_style table `, -:doc:`bond_style lepton ` +:doc:`bond_style lepton `,:doc:`dihedral_style lepton ` Default """"""" diff --git a/doc/src/bond_lepton.rst b/doc/src/bond_lepton.rst index bcd10e8033..91f040e183 100644 --- a/doc/src/bond_lepton.rst +++ b/doc/src/bond_lepton.rst @@ -29,13 +29,12 @@ Description .. versionadded:: TBD -Bond style *lepton* computes bonded interactions between two atoms, -between which a bond has been defined, based on evaluating strings. The -potential function must be provided as an expression string using "r" as -the distance variable relative to the reference distance :math:`r_0` -which is provided as a bond coefficient. For example `"200.0*r^2"` -represents a harmonic potential with a force constant *K* of 200.0 -energy units: +Bond style *lepton* computes bonded interactions between two atoms with +a custom function. The potential function must be provided as an +expression string using "r" as the distance variable relative to the +reference distance :math:`r_0` which is provided as a bond coefficient. +For example `"200.0*r^2"` represents a harmonic potential with a force +constant *K* of 200.0 energy units: .. math:: @@ -45,7 +44,7 @@ The `Lepton library `_, that the *lepton* bond style interfaces with, evaluates this expression string at run time to compute the pairwise energy. It also creates an analytical representation of the first derivative of this expression with respect to -"r" and then uses that to compute the force between the pairs atoms forming +"r" and then uses that to compute the force between the atom pairs forming bonds as defined by the topology data. The following coefficients must be defined for each bond type via the @@ -84,7 +83,8 @@ Related commands """""""""""""""" :doc:`bond_coeff `, :doc:`bond_style table `, -:doc:`bond_write `, :doc:`angle_style lepton ` +:doc:`bond_write `, :doc:`angle_style lepton `, +:doc:`dihedral_style lepton ` Default """""""