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sorted out restart

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This commit is contained in:
sergeylishchuk
2018-07-27 10:41:01 +01:00
parent ed96958915
commit 649d0167c8
2 changed files with 4 additions and 15 deletions
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4
doc/src/pair_atm.txt
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@ -130,6 +130,10 @@ mix, shift, table, and tail options.
This pair style writes its information to "binary restart This pair style writes its information to "binary restart
files"_restart.html, so pair_style and pair_coeff commands do not need 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. 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 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 "run_style respa"_run_style.html command. It does not support the

15
src/MANYBODY/pair_atm.cpp
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@ -267,21 +267,6 @@ double PairATM::init_one(int i, int j)
proc 0 writes to restart file 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) void PairATM::write_restart(FILE *fp)
{ {
write_restart_settings(fp); write_restart_settings(fp);