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Fixed initialization of arrays in fixes

This commit is contained in:
Anders Hafreager 2016-08-25 15:33:49 +02:00 committed by Axel Kohlmeyer
parent 425142ba2e
commit 36e085e393
5 changed files with 13 additions and 9 deletions
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3
src/fix_temp_csvr.cpp
View File

@ -113,7 +113,8 @@ double FixTempCSVR::resamplekin(double ekin_old, double ekin_new){
/* ---------------------------------------------------------------------- */
FixTempCSVR::FixTempCSVR(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
Fix(lmp, narg, arg),
tstr(NULL), id_temp(NULL), random(NULL)
{
if (narg != 7) error->all(FLERR,"Illegal fix temp/csvr command");

3
src/fix_temp_rescale.cpp
View File

@ -37,7 +37,8 @@ enum{CONSTANT,EQUAL};
/* ---------------------------------------------------------------------- */
FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
Fix(lmp, narg, arg),
tstr(NULL), id_temp(NULL), tflag(0)
{
if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command");

5
src/fix_tmd.cpp
View File

@ -39,7 +39,8 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixTMD::FixTMD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
FixTMD::FixTMD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
nfileevery(0), fp(NULL), xf(NULL), xold(NULL)
{
if (narg < 6) error->all(FLERR,"Illegal fix tmd command");
@ -54,8 +55,6 @@ FixTMD::FixTMD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
// perform initial allocation of atom-based arrays
// register with Atom class
xf = NULL;
xold = NULL;
grow_arrays(atom->nmax);
atom->add_callback(0);

8
src/fix_vector.cpp
View File

@ -37,7 +37,8 @@ enum{SCALAR,VECTOR};
/* ---------------------------------------------------------------------- */
FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
Fix(lmp, narg, arg),
nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL), vector(NULL), array(NULL)
{
if (narg < 5) error->all(FLERR,"Illegal fix vector command");
@ -294,8 +295,8 @@ void FixVector::end_of_step()
// evaluate equal-style or vector-style variable
} else if (which[i] == VARIABLE)
if (argindex[i] == 0)
} else if (which[i] == VARIABLE) {
if (argindex[i] == 0)
result[i] = input->variable->compute_equal(m);
else {
double *varvec;
@ -304,6 +305,7 @@ void FixVector::end_of_step()
if (nvec < index) result[i] = 0.0;
else result[i] = varvec[index-1];
}
}
}
// trigger computes on next needed step

3
src/fix_viscous.cpp
View File

@ -27,7 +27,8 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixViscous::FixViscous(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
Fix(lmp, narg, arg),
gamma(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal fix viscous command");