Loading doc/src/improper_ring.rst +3 −3 Original line number Diff line number Diff line Loading @@ -39,9 +39,9 @@ equilibrium value. If the 4 atoms in an improper quadruplet (listed in the data file read by the :doc:`read_data <read_data>` command) are ordered i,j,k,l then theta_\ *ijl* is the angle between atoms i,j and l, theta_\ *ijk* is the angle between atoms i,j and k, theta_\ *kjl* is the angle between atoms j,k, and l. :math:`\theta_{ijl}` is the angle between atoms i,j and l, :math:`\theta_{ijk}` is the angle between atoms i,j and k, :math:`\theta_{kjl}` is the angle between atoms j,k, and l. The "ring" improper style implements the improper potential introduced by Destree et al., in Equation (9) of :ref:`(Destree) <Destree>`. This Loading doc/src/pair_adp.rst +2 −2 Original line number Diff line number Diff line Loading @@ -105,13 +105,13 @@ command for further details on the *setfl* format. * lines 1,2,3 = comments (ignored) * line 4: :math:`N_{\text{elements}}` Element1 Element2 ... ElementN * line 5: :math:`N_\rho`, :math:`d_\rho`, :math:`N_r`, :math:`d_r`, cutoff * line 5: :math:`N_{\rho}`, :math:`d_{\rho}`, :math:`N_r`, :math:`d_r`, cutoff Following the 5 header lines are :math:`N_{\text{elements}}` sections, one for each element, each with the following format: * line 1 = atomic number, mass, lattice constant, lattice type (e.g. FCC) * embedding function :math:`F(\rho)` (:math:`N_\rho` values) * embedding function :math:`F(\rho)` (:math:`N_{\rho}` values) * density function :math:`\rho(r)` (:math:`N_r` values) Following the :math:`N_{\text{elements}}` sections, :math:`N_r` values for each pair potential Loading Loading
doc/src/improper_ring.rst +3 −3 Original line number Diff line number Diff line Loading @@ -39,9 +39,9 @@ equilibrium value. If the 4 atoms in an improper quadruplet (listed in the data file read by the :doc:`read_data <read_data>` command) are ordered i,j,k,l then theta_\ *ijl* is the angle between atoms i,j and l, theta_\ *ijk* is the angle between atoms i,j and k, theta_\ *kjl* is the angle between atoms j,k, and l. :math:`\theta_{ijl}` is the angle between atoms i,j and l, :math:`\theta_{ijk}` is the angle between atoms i,j and k, :math:`\theta_{kjl}` is the angle between atoms j,k, and l. The "ring" improper style implements the improper potential introduced by Destree et al., in Equation (9) of :ref:`(Destree) <Destree>`. This Loading
doc/src/pair_adp.rst +2 −2 Original line number Diff line number Diff line Loading @@ -105,13 +105,13 @@ command for further details on the *setfl* format. * lines 1,2,3 = comments (ignored) * line 4: :math:`N_{\text{elements}}` Element1 Element2 ... ElementN * line 5: :math:`N_\rho`, :math:`d_\rho`, :math:`N_r`, :math:`d_r`, cutoff * line 5: :math:`N_{\rho}`, :math:`d_{\rho}`, :math:`N_r`, :math:`d_r`, cutoff Following the 5 header lines are :math:`N_{\text{elements}}` sections, one for each element, each with the following format: * line 1 = atomic number, mass, lattice constant, lattice type (e.g. FCC) * embedding function :math:`F(\rho)` (:math:`N_\rho` values) * embedding function :math:`F(\rho)` (:math:`N_{\rho}` values) * density function :math:`\rho(r)` (:math:`N_r` values) Following the :math:`N_{\text{elements}}` sections, :math:`N_r` values for each pair potential Loading
