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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3624 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2010-01-04 20:25:40 +00:00
parent cf4ca9efb7
commit 654e03d382
4 changed files with 17 additions and 17 deletions
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12
src/fix_ave_histo.cpp
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@ -49,6 +49,12 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
{
if (narg < 10) error->all("Illegal fix ave/histo command");
MPI_Comm_rank(world,&me);
nevery = atoi(arg[3]);
nrepeat = atoi(arg[4]);
nfreq = atoi(arg[5]);
global_freq = nfreq;
vector_flag = 1;
size_vector = 4;
@ -58,12 +64,6 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
extarray = 0;
time_depend = 1;
MPI_Comm_rank(world,&me);
nevery = atoi(arg[3]);
nrepeat = atoi(arg[4]);
nfreq = atoi(arg[5]);
lo = atof(arg[6]);
hi = atof(arg[7]);
nbins = atoi(arg[8]);

8
src/fix_ave_spatial.cpp
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@ -50,13 +50,14 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
MPI_Comm_rank(world,&me);
no_change_box = 1;
time_depend = 1;
nevery = atoi(arg[3]);
nrepeat = atoi(arg[4]);
nfreq = atoi(arg[5]);
global_freq = nfreq;
no_change_box = 1;
time_depend = 1;
if (strcmp(arg[6],"x") == 0) dim = 0;
else if (strcmp(arg[6],"y") == 0) dim = 1;
else if (strcmp(arg[6],"z") == 0) dim = 2;
@ -293,7 +294,6 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
array_flag = 1;
size_local_rows = BIG;
size_local_cols = nvalues+2;
global_freq = nfreq;
extarray = 0;
// setup scaling

6
src/fix_ave_time.cpp
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@ -44,14 +44,15 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
{
if (narg < 7) error->all("Illegal fix ave/time command");
time_depend = 1;
MPI_Comm_rank(world,&me);
nevery = atoi(arg[3]);
nrepeat = atoi(arg[4]);
nfreq = atoi(arg[5]);
global_freq = nfreq;
time_depend = 1;
// scan values to count them
// then read options so know mode = SCALAR/VECTOR before re-reading values
@ -251,7 +252,6 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
// VECTOR mode produces either a vector or array
// intensive/extensive flags set by compute,fix,variable that produces value
global_freq = nfreq;
extlist = NULL;
if (mode == SCALAR) {

8
src/fix_thermal_conductivity.cpp
View File

@ -37,15 +37,15 @@ FixThermalConductivity::FixThermalConductivity(LAMMPS *lmp,
{
if (narg < 6) error->all("Illegal fix thermal/conductivity command");
scalar_flag = 1;
global_freq = nevery;
extscalar = 0;
MPI_Comm_rank(world,&me);
nevery = atoi(arg[3]);
if (nevery <= 0) error->all("Illegal fix thermal/conductivity command");
scalar_flag = 1;
global_freq = nevery;
extscalar = 0;
if (strcmp(arg[4],"x") == 0) edim = 0;
else if (strcmp(arg[4],"y") == 0) edim = 1;
else if (strcmp(arg[4],"z") == 0) edim = 2;