Merge branch 'init' into integration (62b7b69a) · Commits · 郑智淋 / lammps

src/MANYBODY/fix_qeq_comb.cpp

+2 −3

Original line number	Diff line number	Diff line
		@@ -38,7 +38,8 @@ using namespace FixConst;

		/* ---------------------------------------------------------------------- */

		FixQEQComb::FixQEQComb(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		FixQEQComb::FixQEQComb(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg),
		fp(NULL), qf(NULL), q1(NULL), q2(NULL)
		{
		if (narg < 5) error->all(FLERR,"Illegal fix qeq/comb command");

		@@ -58,8 +59,6 @@ FixQEQComb::FixQEQComb(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)

		// optional args

		fp = NULL;

		int iarg = 5;
		while (iarg < narg) {
		if (strcmp(arg[iarg],"file") == 0) {

+3 −4

Original line number	Diff line number	Diff line
		@@ -56,7 +56,8 @@ using namespace MathConst;
		/* ---------------------------------------------------------------------- */

		FixAtomSwap::FixAtomSwap(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		idregion(NULL), type_list(NULL), mu(NULL), qtype(NULL), sqrt_mass_ratio(NULL), random_equal(NULL), random_unequal(NULL)
		{
		if (narg < 10) error->all(FLERR,"Illegal fix atom/swap command");

		@@ -68,8 +69,6 @@ FixAtomSwap::FixAtomSwap(LAMMPS lmp, int narg, char *arg) :
		extvector = 0;
		restart_global = 1;
		time_depend = 1;
		type_list = NULL;
		qtype = NULL;

		// required args

+2 −4

Original line number	Diff line number	Diff line
		@@ -36,7 +36,8 @@ using namespace FixConst;
		/* ---------------------------------------------------------------------- */

		FixBondBreak::FixBondBreak(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		partner(NULL), finalpartner(NULL), distsq(NULL), broken(NULL), copy(NULL), random(NULL)
		{
		if (narg < 6) error->all(FLERR,"Illegal fix bond/break command");

		@@ -98,11 +99,8 @@ FixBondBreak::FixBondBreak(LAMMPS lmp, int narg, char *arg) :
		// allocate arrays local to this fix

		nmax = 0;
		partner = finalpartner = NULL;
		distsq = NULL;

		maxbreak = 0;
		broken = NULL;

		// copy = special list for one atom
		// size = ms^2 + ms is sufficient

+2 −1

Original line number	Diff line number	Diff line
		@@ -39,7 +39,8 @@ using namespace FixConst;
		/* ---------------------------------------------------------------------- */

		FixBondCreate::FixBondCreate(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		bondcount(NULL), partner(NULL), finalpartner(NULL), distsq(NULL), created(NULL), copy(NULL), random(NULL)
		{
		if (narg < 8) error->all(FLERR,"Illegal fix bond/create command");

+2 −1

Original line number	Diff line number	Diff line
		@@ -52,7 +52,8 @@ static const char cite_fix_bond_swap[] =
		/* ---------------------------------------------------------------------- */

		FixBondSwap::FixBondSwap(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		tflag(0), alist(NULL), id_temp(NULL)
		{
		if (lmp->citeme) lmp->citeme->add(cite_fix_bond_swap);