updated .gitignore and Purge.list, and author info, and added URL to the SPICA web.

This commit is contained in:
yskmiyazaki
2022-07-11 11:38:31 +09:00
parent 8aa55bfab1
commit aa11935e88
5 changed files with 42 additions and 17 deletions

View File

@ -376,7 +376,9 @@ Several pair styles and an angle style which implement the
coarse-grained SPICA (formerly called SDK) model which enables
simulation of biological or soft material systems.
**Author:** Axel Kohlmeyer (Temple U).
**Original Author:** Axel Kohlmeyer (Temple U).
**Maintainers:** Yusuke Miyazaki and Wataru Shinoda (Okayama U).
**Supporting info:**
@ -386,6 +388,7 @@ simulation of biological or soft material systems.
* :doc:`angle_style spica <angle_spica>`
* examples/PACKAGES/cgspica
* https://www.lammps.org/pictures.html#cg
* https://www.spica-ff.org/
----------

View File

@ -82,6 +82,7 @@ given by
as required for the SPICA (formerly called SDK) and the pSPICA Coarse-grained MD parameterization discussed in
:ref:`(Shinoda) <Shinoda3>`, :ref:`(DeVane) <DeVane>`, :ref:`(Seo) <Seo>`, and :ref:`(Miyazaki) <Miyazaki>`.
Rc is the cutoff.
Summary information on these force fields can be found at https://www.spica-ff.org
Style *lj/spica/coul/long* computes the adds Coulombic interactions
with an additional damping factor applied so it can be used in