From 17853aef202c668b4abd976e6fa1d82e74629836 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 5 Oct 2018 09:47:47 +0200
Subject: [PATCH] modify restart changes, so it stays backward compatible and
does not result in unexpected behavior when reading old restarts. also use
consistent naming conventions for enum entries
---
src/read_restart.cpp | 6 ++++--
src/write_restart.cpp | 4 ++--
2 files changed, 6 insertions(+), 4 deletions(-)
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index a57831a5b2..252c48d251 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -64,7 +64,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR,
EXTRA_BOND_PER_ATOM,EXTRA_ANGLE_PER_ATOM,EXTRA_DIHEDRAL_PER_ATOM,
- EXTRA_IMPROPER_PER_ATOM,MAXSPECIAL};
+ EXTRA_IMPROPER_PER_ATOM,EXTRA_SPECIAL_PER_ATOM,ATOM_MAXSPECIAL};
#define LB_FACTOR 1.1
@@ -924,7 +924,9 @@ void ReadRestart::header(int incompatible)
atom->extra_dihedral_per_atom = read_int();
} else if (flag == EXTRA_IMPROPER_PER_ATOM) {
atom->extra_improper_per_atom = read_int();
- } else if (flag == MAXSPECIAL) {
+ } else if (flag == EXTRA_SPECIAL_PER_ATOM) {
+ force->special_extra = read_int();
+ } else if (flag == ATOM_MAXSPECIAL) {
atom->maxspecial = read_int();
} else error->all(FLERR,"Invalid flag in header section of restart file");
diff --git a/src/write_restart.cpp b/src/write_restart.cpp
index 6e01ab2997..e0e17cd292 100644
--- a/src/write_restart.cpp
+++ b/src/write_restart.cpp
@@ -63,7 +63,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR,
EXTRA_BOND_PER_ATOM,EXTRA_ANGLE_PER_ATOM,EXTRA_DIHEDRAL_PER_ATOM,
- EXTRA_IMPROPER_PER_ATOM,MAXSPECIAL};
+ EXTRA_IMPROPER_PER_ATOM,EXTRA_SPECIAL_PER_ATOM,ATOM_MAXSPECIAL};
/* ---------------------------------------------------------------------- */
@@ -533,7 +533,7 @@ void WriteRestart::header()
write_int(EXTRA_ANGLE_PER_ATOM,atom->extra_angle_per_atom);
write_int(EXTRA_DIHEDRAL_PER_ATOM,atom->extra_dihedral_per_atom);
write_int(EXTRA_IMPROPER_PER_ATOM,atom->extra_improper_per_atom);
- write_int(MAXSPECIAL,atom->maxspecial);
+ write_int(ATOM_MAXSPECIAL,atom->maxspecial);
// -1 flag signals end of header
--
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