Removed unused variables - corrected documentation (6de45694) · Commits · 郑智淋 / lammps

doc/src/compute_pair_entropy_atom.txt

+16 −16

Original line number	Diff line number	Diff line
		@@ -43,7 +43,7 @@ The advantage of this parameter over others is that no a priori
		information about the solid structure is required.

		This parameter for atom i is computed using the following formula from
		"(Piaggi)"_#Piaggi and "(Nettleton)"_#Nettleton
		"(Piaggi)"_#Piaggi and "(Nettleton)"_#Nettleton ,

		:c,image(Eqs/pair_entropy.jpg)

+2 −3

Original line number	Diff line number	Diff line
		@@ -160,8 +160,8 @@ void ComputePairEntropyAtom::init_list(int id, NeighList *ptr)

		void ComputePairEntropyAtom::compute_peratom()
		{
		int i,j,k,ii,jj,kk,n,inum,jnum;
		double xtmp,ytmp,ztmp,delx,dely,delz,rsq,value;
		int i,j,ii,jj,inum,jnum;
		double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
		int ilist,jlist,numneigh,*firstneigh;
		double rbin[nbin], rbinsq[nbin];

		@@ -198,7 +198,6 @@ void ComputePairEntropyAtom::compute_peratom()
		firstneigh = list->firstneigh;

		// Compute some constants
		double nlist_cutoff = force->pair->cutforce;
		double sigmasq2=2sigmasigma;
		double volume = domain->xprd * domain->yprd * domain->zprd;
		double density = atom->natoms / volume;