From 16054cc327325655e24996261c236b53f5f8f72d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Mar 2018 18:04:08 -0400
Subject: [PATCH] print names of restored force field styles to screen and
logfile
---
src/read_restart.cpp | 43 ++++++++++++++++++++++++++++++++++++++++++-
1 file changed, 42 insertions(+), 1 deletion(-)
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 82583bfe01..ec985511b4 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -62,7 +62,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
IMAGEINT,BOUNDMIN,TIMESTEP,
ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
- COMM_MODE,COMM_CUTOFF,COMM_VEL};
+ COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR};
#define LB_FACTOR 1.1
@@ -949,30 +949,71 @@ void ReadRestart::force_fields()
force->create_pair(style,1);
delete [] style;
force->pair->read_restart(fp);
+ if (comm->me ==0) {
+ if (screen) fprintf(screen," restored pair style %s from "
+ "restart\n", force->pair_style);
+ if (logfile) fprintf(logfile," restored pair style %s from "
+ "restart\n", force->pair_style);
+ }
+
+ } else if (flag == NO_PAIR) {
+ style = read_string();
+ if (comm->me ==0) {
+ if (screen) fprintf(screen," pair style %s stores no "
+ "restart info\n", style);
+ if (logfile) fprintf(logfile," pair style %s stores no "
+ "restart info\n", style);
+ }
+ force->create_pair("none",0);
+ force->pair_restart = style;
} else if (flag == BOND) {
style = read_string();
force->create_bond(style,1);
delete [] style;
force->bond->read_restart(fp);
+ if (comm->me ==0) {
+ if (screen) fprintf(screen," restored bond style %s from "
+ "restart\n", force->bond_style);
+ if (logfile) fprintf(logfile," restored bond style %s from "
+ "restart\n", force->bond_style);
+ }
} else if (flag == ANGLE) {
style = read_string();
force->create_angle(style,1);
delete [] style;
force->angle->read_restart(fp);
+ if (comm->me ==0) {
+ if (screen) fprintf(screen," restored angle style %s from "
+ "restart\n", force->angle_style);
+ if (logfile) fprintf(logfile," restored angle style %s from "
+ "restart\n", force->angle_style);
+ }
} else if (flag == DIHEDRAL) {
style = read_string();
force->create_dihedral(style,1);
delete [] style;
force->dihedral->read_restart(fp);
+ if (comm->me ==0) {
+ if (screen) fprintf(screen," restored dihedral style %s from "
+ "restart\n", force->dihedral_style);
+ if (logfile) fprintf(logfile," restored dihedral style %s from "
+ "restart\n", force->dihedral_style);
+ }
} else if (flag == IMPROPER) {
style = read_string();
force->create_improper(style,1);
delete [] style;
force->improper->read_restart(fp);
+ if (comm->me ==0) {
+ if (screen) fprintf(screen," restored improper style %s from "
+ "restart\n", force->improper_style);
+ if (logfile) fprintf(logfile," restored improper style %s from "
+ "restart\n", force->improper_style);
+ }
} else error->all(FLERR,
"Invalid flag in force field section of restart file");
--
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