Merge pull request #494 from rbberger/small_updates
Collection of minor updates
This commit is contained in:
@ -100,6 +100,7 @@ epub: $(OBJECTS)
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pdf: utils/txt2html/txt2html.exe
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@(\
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set -e; \
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cd src; \
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../utils/txt2html/txt2html.exe -b *.txt; \
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htmldoc --batch lammps.book; \
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@ -47,6 +47,8 @@ FixPython::FixPython(LAMMPS *lmp, int narg, char **arg) :
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selected_callback = POST_FORCE;
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} else if (strcmp(arg[4],"end_of_step") == 0) {
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selected_callback = END_OF_STEP;
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} else {
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error->all(FLERR,"Unsupported callback name for fix/python");
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}
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// get Python function
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@ -41,6 +41,7 @@ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) {
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restartinfo = 0;
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one_coeff = 1;
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reinitflag = 0;
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cut_global = 0.0;
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py_potential = NULL;
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skip_types = NULL;
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@ -35,6 +35,12 @@ enum{NONE,INT,DOUBLE,STRING,PTR};
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PythonImpl::PythonImpl(LAMMPS *lmp) : Pointers(lmp)
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{
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ninput = noutput = 0;
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istr = NULL;
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ostr = NULL;
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format = NULL;
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length_longstr = 0;
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// pfuncs stores interface info for each Python function
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nfunc = 0;
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@ -307,6 +313,9 @@ void PythonImpl::invoke_function(int ifunc, char *result)
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}
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} else if (itype == PTR) {
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pValue = PY_VOID_POINTER(lmp);
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} else {
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PyGILState_Release(gstate);
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error->all(FLERR,"Unsupported variable type");
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}
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PyTuple_SetItem(pArgs,i,pValue);
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}
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@ -228,7 +228,6 @@ void NeighRequest::copy_request(NeighRequest *other, int skipflag)
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dnum = other->dnum;
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iskip = other->iskip;
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iskip = NULL;
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ijskip = NULL;
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