Merge pull request #494 from rbberger/small_updates

Collection of minor updates
This commit is contained in:
sjplimp
2017-05-30 10:51:24 -06:00
committed by GitHub
5 changed files with 13 additions and 1 deletions

View File

@ -100,6 +100,7 @@ epub: $(OBJECTS)
pdf: utils/txt2html/txt2html.exe
@(\
set -e; \
cd src; \
../utils/txt2html/txt2html.exe -b *.txt; \
htmldoc --batch lammps.book; \

View File

@ -47,6 +47,8 @@ FixPython::FixPython(LAMMPS *lmp, int narg, char **arg) :
selected_callback = POST_FORCE;
} else if (strcmp(arg[4],"end_of_step") == 0) {
selected_callback = END_OF_STEP;
} else {
error->all(FLERR,"Unsupported callback name for fix/python");
}
// get Python function

View File

@ -41,6 +41,7 @@ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) {
restartinfo = 0;
one_coeff = 1;
reinitflag = 0;
cut_global = 0.0;
py_potential = NULL;
skip_types = NULL;

View File

@ -35,6 +35,12 @@ enum{NONE,INT,DOUBLE,STRING,PTR};
PythonImpl::PythonImpl(LAMMPS *lmp) : Pointers(lmp)
{
ninput = noutput = 0;
istr = NULL;
ostr = NULL;
format = NULL;
length_longstr = 0;
// pfuncs stores interface info for each Python function
nfunc = 0;
@ -307,6 +313,9 @@ void PythonImpl::invoke_function(int ifunc, char *result)
}
} else if (itype == PTR) {
pValue = PY_VOID_POINTER(lmp);
} else {
PyGILState_Release(gstate);
error->all(FLERR,"Unsupported variable type");
}
PyTuple_SetItem(pArgs,i,pValue);
}

View File

@ -228,7 +228,6 @@ void NeighRequest::copy_request(NeighRequest *other, int skipflag)
dnum = other->dnum;
iskip = other->iskip;
iskip = NULL;
ijskip = NULL;