ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3690 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-01-14 23:25:10 +00:00
parent 8626f1cee6
commit 4a63d33e56
8 changed files with 16 additions and 16 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/Makefile.lib
View File

File diff suppressed because one or more lines are too long

4
src/Makefile.list
View File

File diff suppressed because one or more lines are too long

4
src/PRD/prd.cpp
View File

@ -228,8 +228,8 @@ void PRD::command(int narg, char **arg)
if (modify->fix[i]->time_depend) if (modify->fix[i]->time_depend)
error->all("Cannot use PRD with a time-dependent fix defined"); error->all("Cannot use PRD with a time-dependent fix defined");
for (int i = 0; i < modify->nfix; i++) for (int i = 0; i < domain->nregion; i++)
if (domain->regions[i]->dynamic) if (domain->regions[i]->dynamic_check())
error->all("Cannot use PRD with a time-dependent region defined"); error->all("Cannot use PRD with a time-dependent region defined");
// perform PRD simulation // perform PRD simulation

3
src/atom.cpp
View File

@ -53,8 +53,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
extra_bond_per_atom = 0; extra_bond_per_atom = 0;
firstgroupname = NULL; firstgroupname = NULL;
sortfreq = 0; sortfreq = 1000;
//sortfreq = 1000;
userbinsize = 0.0; userbinsize = 0.0;
maxbin = maxnext = 0; maxbin = maxnext = 0;
binhead = NULL; binhead = NULL;

4
src/compute_reduce.cpp
View File

@ -275,8 +275,8 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
scalar_flag = 1; scalar_flag = 1;
if (mode == SUM) extscalar = 1; if (mode == SUM) extscalar = 1;
else extscalar = 0; else extscalar = 0;
vector = NULL; vector = onevec = NULL;
onevec = NULL; indices = owner = NULL;
} else { } else {
vector_flag = 1; vector_flag = 1;
size_vector = nvalues; size_vector = nvalues;

8
src/dump_custom.cpp
View File

@ -67,8 +67,8 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
// computes, fixes, variables which the dump accesses // computes, fixes, variables which the dump accesses
field2index = new int[nfield]; field2index = (int *) memory->smalloc(nfield*sizeof(int),"dump:field2index");
argindex = new int[nfield]; argindex = (int *) memory->smalloc(nfield*sizeof(int),"dump:argindex");
ncompute = 0; ncompute = 0;
id_compute = NULL; id_compute = NULL;
@ -124,8 +124,8 @@ DumpCustom::~DumpCustom()
{ {
delete [] pack_choice; delete [] pack_choice;
delete [] vtype; delete [] vtype;
delete [] field2index; memory->sfree(field2index);
delete [] argindex; memory->sfree(argindex);
memory->sfree(thresh_array); memory->sfree(thresh_array);
memory->sfree(thresh_op); memory->sfree(thresh_op);

3
src/region.h
View File

@ -28,7 +28,6 @@ class Region : protected Pointers {
double extent_ylo,extent_yhi; double extent_ylo,extent_yhi;
double extent_zlo,extent_zhi; double extent_zlo,extent_zhi;
int bboxflag; // 1 if bounding box is computable int bboxflag; // 1 if bounding box is computable
int dynamic; // 1 if region changes over time
// contact = particle near region surface // contact = particle near region surface
@ -61,6 +60,8 @@ class Region : protected Pointers {
double ax,ay,az; double ax,ay,az;
double point[3],axis[3],runit[3]; double point[3],axis[3],runit[3];
int dynamic; // 1 if region changes over time
void rotate(double &, double &, double &, double); void rotate(double &, double &, double &, double);
}; };

2
src/update.cpp
View File

@ -242,7 +242,7 @@ void Update::reset_timestep(int narg, char **arg)
error->all("Cannot reset timestep with a time-dependent fix defined"); error->all("Cannot reset timestep with a time-dependent fix defined");
for (int i = 0; i < domain->nregion; i++) for (int i = 0; i < domain->nregion; i++)
if (domain->regions[i]->dynamic) if (domain->regions[i]->dynamic_check())
error->all("Cannot reset timestep with a dynamic region defined"); error->all("Cannot reset timestep with a dynamic region defined");
eflag_global = vflag_global = -1; eflag_global = vflag_global = -1;