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small corrections. remove redundant statement.

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This commit is contained in:
Axel Kohlmeyer
2023-04-07 23:48:58 -04:00
parent 227e41e50b
commit fbf1fcc605
1 changed files with 2 additions and 4 deletions
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6
doc/src/pair_lj_expand_sphere.rst
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@ -48,9 +48,8 @@ different sigma values as in :doc:`pair style lj/cut/sphere
\left(\frac{\sigma}{r - \Delta}\right)^6 \right]
\qquad r < r_c + \Delta
:math:`r_c` is the cutoff ratio which does not include the `\Delta`
:math:distance. I.e. the actual force cutoff is the sum
:math:`r_c + \Delta`.
:math:`r_c` is the cutoff which does not include the distance :math:`\Delta`.
I.e. the actual force cutoff is the sum :math:`r_c + \Delta`.
This is the same potential function used by the :doc:`lj/expand
<pair_lj>` pair style, but the :math:`\Delta` parameter is not
@ -58,7 +57,6 @@ set as a per-type parameter via the :doc:`pair_coeff command
<pair_coeff>`. Instead it is calculated individually for each pair
using the per-atom diameter attribute of :doc:`atom_style sphere
<atom_style>` for the two atoms as the average diameter, :math:`\Delta = \frac{1}{2} (d_i + d_j)`
The cutoff is the specified cutoff :math:`r_c` plus the shift distance :math:`\Delta`.
Note that :math:`\sigma` is defined in the LJ formula above as the
zero-crossing distance for the potential, *not* as the energy minimum which