Commit 649d0167 authored by sergeylishchuk's avatar sergeylishchuk
Browse files

sorted out restart

parent ed969589
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+4 −0
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@@ -130,6 +130,10 @@ mix, shift, table, and tail options.
This pair style writes its information to "binary restart
files"_restart.html, so pair_style and pair_coeff commands do not need
to be specified in an input script that reads a restart file.
However, if the {atm} potential is used in combination with other
potentials using the "pair_style hybrid/overlay"_pair_hybrid.html
command then pair_coeff commands need to be re-specified
in the restart input script.

This pair style can only be used via the {pair} keyword of the
"run_style respa"_run_style.html command.  It does not support the
+0 −15
Original line number Diff line number Diff line
@@ -267,21 +267,6 @@ double PairATM::init_one(int i, int j)
   proc 0 writes to restart file
------------------------------------------------------------------------- */

// 
// PLEASE HELP!
// 
// From the pair_hybrid documentation: 
// 
// "For the hybrid pair styles, the list of sub-styles and their respective
// settings are written to binary restart files, so a pair_style command
// does not need to specified in an input script that reads a restart file.
// However, the coefficient information is not stored in the restart file.
// Thus, pair_coeff commands need to be re-specified in the restart input
// script."
// 
// As a result, the function "PairATM::write_restart" is not called from
// "pair_hybrid.cpp". What is the best way to deal with this problem?
// 
void PairATM::write_restart(FILE *fp)
{
  write_restart_settings(fp);