Merge pull request #494 from rbberger/small_updates (952b18fc) · Commits · 郑智淋 / lammps

doc/Makefile

+1 −0

Original line number	Diff line number	Diff line
		@@ -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; \

+2 −0

Original line number	Diff line number	Diff line
		@@ -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

+1 −0

Original line number	Diff line number	Diff line
		@@ -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;

+9 −0

Original line number	Diff line number	Diff line
		@@ -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);
		}

+0 −1

Original line number	Diff line number	Diff line
		@@ -228,7 +228,6 @@ void NeighRequest::copy_request(NeighRequest *other, int skipflag)

		dnum = other->dnum;

		iskip = other->iskip;
		iskip = NULL;
		ijskip = NULL;