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lammps
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fix wrong column size assignment bug when using optional arguments in some local computes

This commit is contained in:
Axel Kohlmeyer 2019-04-03 15:15:40 -04:00
parent f73ccc3025
commit 8820467a8b
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GPG Key ID: D9B44E93BF0C375A
4 changed files with 13 additions and 11 deletions
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5
src/BODY/compute_body_local.cpp
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@ -39,8 +39,6 @@ ComputeBodyLocal::ComputeBodyLocal(LAMMPS *lmp, int narg, char **arg) :
local_flag = 1;
nvalues = narg - 3;
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
which = new int[nvalues];
index = new int[nvalues];
@ -66,6 +64,9 @@ ComputeBodyLocal::ComputeBodyLocal(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Invalid index in compute body/local command");
}
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
nmax = 0;
vector = NULL;
array = NULL;

7
src/RIGID/compute_rigid_local.cpp
View File

@ -40,8 +40,6 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS *lmp, int narg, char **arg) :
local_flag = 1;
nvalues = narg - 4;
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
int n = strlen(arg[3]) + 1;
idrigid = new char[n];
@ -88,7 +86,10 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS *lmp, int narg, char **arg) :
else error->all(FLERR,"Invalid keyword in compute rigid/local command");
}
ncount = nmax = 0;
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
ncount = nmax = 0;
vlocal = NULL;
alocal = NULL;
}

6
src/compute_improper_local.cpp
View File

@ -46,9 +46,6 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
local_flag = 1;
nvalues = narg - 3;
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
cflag = -1;
nvalues = 0;
@ -57,6 +54,9 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
else error->all(FLERR,"Invalid keyword in compute improper/local command");
}
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
nmax = 0;
vlocal = NULL;
alocal = NULL;

6
src/compute_pair_local.cpp
View File

@ -43,9 +43,6 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
local_flag = 1;
nvalues = narg - 3;
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
pstyle = new int[nvalues];
pindex = new int[nvalues];
@ -96,6 +93,9 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
for (int i = 0; i < nvalues; i++)
if (pstyle[i] != DIST) singleflag = 1;
if (nvalues == 1) size_local_cols = 0;
else size_local_cols = nvalues;
nmax = 0;
vlocal = NULL;
alocal = NULL;