(dc41c79c) · Commits · 郑智淋 / lammps

src/atom.cpp

+0 −3

Original line number	Diff line number	Diff line
		@@ -609,9 +609,6 @@ void Atom::tag_extend()

		int Atom::tag_consecutive()
		{
		int check[2],check_all[2];
		check[0] = check[1] = 0;

		int idmin = static_cast<int> (natoms);
		int idmax = 0;

+0 −1

Original line number	Diff line number	Diff line
		@@ -130,7 +130,6 @@ void ComputeTempCOM::compute_vector()
		if (dynamic) masstotal = group->mass(igroup);
		group->vcm(igroup,masstotal,vbias);

		double **x = atom->x;
		double **v = atom->v;
		double *mass = atom->mass;
		double *rmass = atom->rmass;

+1 −2

Original line number	Diff line number	Diff line
		@@ -237,9 +237,8 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
		int nall = atom->nlocal + atom->nghost;
		double *special_coul = force->special_coul;
		double *special_lj = force->special_lj;
		int newton_pair = force->newton_pair;

		int i,j,ii,jj,m,inum,jnum,itype,jtype;
		int i,j,ii,jj,inum,jnum,itype;
		double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
		int ilist,jlist,numneigh,*firstneigh;

+1 −6

Original line number	Diff line number	Diff line
		@@ -288,8 +288,6 @@ void FixAveTime::init()
		// set indices and check validity of all computes,fixes,variables
		// check that fix frequency is acceptable

		int ilist = 0;

		for (int i = 0; i < nvalues; i++) {
		if (which[i] == COMPUTE) {
		int icompute = modify->find_compute(ids[i]);
		@@ -328,8 +326,7 @@ void FixAveTime::setup(int vflag)

		void FixAveTime::end_of_step()
		{
		int i,j,k,m;
		double tmp;
		int i,m;

		// skip if not step which requires doing something

		@@ -345,8 +342,6 @@ void FixAveTime::end_of_step()

		modify->clearstep_compute();

		int ilist = 0;

		for (i = 0; i < nvalues; i++) {
		m = value2index[i];

+0 −1

Original line number	Diff line number	Diff line
		@@ -129,7 +129,6 @@ void FixNVTSlodd::final_integrate()
		// thermostat thermal velocity only
		// vdelu = SLLOD correction = HrateHinvvthermal

		double **x = atom->x;
		double **v = atom->v;
		double **f = atom->f;
		double *mass = atom->mass;