From 7f8302b65b44f7e7f6ee5bfa7827b2defab79bd9 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Thu, 4 Oct 2018 22:08:43 -0600
Subject: [PATCH] replace extra_special with maxspecial in restarts
---
src/read_restart.cpp | 6 +++---
src/write_restart.cpp | 4 ++--
2 files changed, 5 insertions(+), 5 deletions(-)
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 9be035e1a1..a57831a5b2 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,EXTRA_SPECIAL_PER_ATOM};
+ EXTRA_IMPROPER_PER_ATOM,MAXSPECIAL};
#define LB_FACTOR 1.1
@@ -924,8 +924,8 @@ 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 == EXTRA_SPECIAL_PER_ATOM) {
- force->special_extra = read_int();
+ } else if (flag == 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 edb6dfa7e8..6e01ab2997 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,EXTRA_SPECIAL_PER_ATOM};
+ EXTRA_IMPROPER_PER_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(EXTRA_SPECIAL_PER_ATOM,force->special_extra);
+ write_int(MAXSPECIAL,atom->maxspecial);
// -1 flag signals end of header
--
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