Attention une mise à jour du service Gitlab va être effectuée le mardi 18 janvier (et non lundi 17 comme annoncé précédemment) entre 18h00 et 18h30. Cette mise à jour va générer une interruption du service dont nous ne maîtrisons pas complètement la durée mais qui ne devrait pas excéder quelques minutes.

Commit 3f511f76 authored by COULAUD Olivier's avatar COULAUD Olivier
Browse files

add how we construct DL_POLY file

parent 2505fa98
......@@ -421,7 +421,7 @@ Force &$C_{force}$& -138935.4835 & $10\,J mol^{-1}\, \AA^{-1}$\\
The force unit is the internal DL\_Poly unit.
The first test consists in a small crystal $4\times 4\times 4$ of NaCl. It is composed of 128 atoms The second tests is a larger crystal $10\times 10\times 10$ of NaCl and have X atoms.
The first test consists in a small crystal $4\times 4\times 4$ of NaCl. It is composed of 128 atoms The second tests is a larger crystal $10\times 10\times 10$ of NaCl and have 2000 atoms. The positions and the forces are stored in the \texttt{REVCON} file and the energy in the \texttt{STATIS} file.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Conclusion}
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment