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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10273 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-07-22 22:27:57 +00:00
parent e3bc276ce6
commit 580bffefea
4 changed files with 10 additions and 9 deletions
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7
src/KSPACE/msm.cpp
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@ -2265,7 +2265,7 @@ void MSM::restriction(int n)
{
//fprintf(screen,"Restricting from level %i to %i\n\n",n,n+1);
int p = order-1;
const int p = order-1;
double ***qgrid1 = qgrid[n];
double ***qgrid2 = qgrid[n+1];
@ -2287,7 +2287,8 @@ void MSM::restriction(int n)
// zero out charge on coarser grid
memset(&(qgrid2[nzlo_out[n+1]][nylo_out[n+1]][nxlo_out[n+1]]),0,ngrid[n+1]*sizeof(double));
memset(&(qgrid2[nzlo_out[n+1]][nylo_out[n+1]][nxlo_out[n+1]]),0,
ngrid[n+1]*sizeof(double));
for (kp = nzlo_in[n+1]; kp <= nzhi_in[n+1]; kp++)
for (jp = nylo_in[n+1]; jp <= nyhi_in[n+1]; jp++)
@ -2338,7 +2339,7 @@ void MSM::prolongation(int n)
{
//fprintf(screen,"Prolongating from level %i to %i\n\n",n+1,n);
int p = order-1;
const int p = order-1;
double ***egrid1 = egrid[n];
double ***egrid2 = egrid[n+1];

2
src/displace_atoms.cpp
View File

@ -215,7 +215,7 @@ void DisplaceAtoms::command(int narg, char **arg)
axis[1] = force->numeric(FLERR,arg[6]);
axis[2] = force->numeric(FLERR,arg[7]);
double theta = force->numeric(FLERR,arg[8]);
if (dim == 2 and (axis[0] != 0.0 || axis[1] != 0.0))
if (dim == 2 && (axis[0] != 0.0 || axis[1] != 0.0))
error->all(FLERR,"Invalid displace_atoms rotate axis for 2d");
double len = sqrt(axis[0]*axis[0] + axis[1]*axis[1] + axis[2]*axis[2]);

4
src/input.cpp
View File

@ -200,7 +200,7 @@ void Input::file()
// execute the command
if (execute_command()) {
char str[maxline+32];
char *str = new char[maxline+32];
sprintf(str,"Unknown command: %s",line);
error->all(FLERR,str);
}
@ -266,7 +266,7 @@ char *Input::one(const char *single)
// execute the command and return its name
if (execute_command()) {
char str[maxline+32];
char *str = new char[maxline+32];
sprintf(str,"Unknown command: %s",line);
error->all(FLERR,str);
}

6
src/variable.cpp
View File

@ -3618,7 +3618,7 @@ unsigned int Variable::data_mask(char *str)
// compute
// ----------------
if ((strncmp(word,"c_",2) == 0) && (i>0) && (not isalnum(str[i-1]))){
if ((strncmp(word,"c_",2) == 0) && (i>0) && (!isalnum(str[i-1]))) {
if (domain->box_exist == 0)
error->all(FLERR,
"Variable evaluation before simulation box is defined");
@ -3636,7 +3636,7 @@ unsigned int Variable::data_mask(char *str)
delete [] id;
}
if ((strncmp(word,"f_",2) == 0) && (i>0) && (not isalnum(str[i-1]))) {
if ((strncmp(word,"f_",2) == 0) && (i>0) && (!isalnum(str[i-1]))) {
if (domain->box_exist == 0)
error->all(FLERR,
"Variable evaluation before simulation box is defined");
@ -3652,7 +3652,7 @@ unsigned int Variable::data_mask(char *str)
delete [] id;
}
if ((strncmp(word,"v_",2) == 0) && (i>0) && (not isalnum(str[i-1]))) {
if ((strncmp(word,"v_",2) == 0) && (i>0) && (!isalnum(str[i-1]))) {
int ivar = find(word);
datamask &= data_mask(ivar);
}