From 649d0167c800fa0c88e9f3d344577471e1a29a40 Mon Sep 17 00:00:00 2001 From: sergeylishchuk Date: Fri, 27 Jul 2018 10:41:01 +0100 Subject: [PATCH] sorted out restart --- doc/src/pair_atm.txt | 4 ++++ src/MANYBODY/pair_atm.cpp | 15 --------------- 2 files changed, 4 insertions(+), 15 deletions(-) diff --git a/doc/src/pair_atm.txt b/doc/src/pair_atm.txt index 6453b02bf8..b798f7d128 100644 --- a/doc/src/pair_atm.txt +++ b/doc/src/pair_atm.txt @@ -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 diff --git a/src/MANYBODY/pair_atm.cpp b/src/MANYBODY/pair_atm.cpp index 090a8352d5..92d9338dc8 100644 --- a/src/MANYBODY/pair_atm.cpp +++ b/src/MANYBODY/pair_atm.cpp @@ -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);