remove dead code and fix compilation for fix mscg (14588f62) · Commits · 郑智淋 / lammps

src/MSCG/fix_mscg.cpp

+1 −2

Original line number	Diff line number	Diff line
		@@ -21,6 +21,7 @@
		#include "fix_mscg.h"
		#include "mscg.h"
		#include "atom.h"
		#include "comm.h"
		#include "domain.h"
		#include "error.h"
		#include "force.h"
		@@ -284,11 +285,9 @@ void FixMSCG::end_of_step()
		if (domain->triclinic == 1)
		error->all(FLERR,"Fix mscg does not yet support triclinic geometries");

		int natoms = atom->natoms;
		int nlocal = atom->nlocal;
		tagint *tag = atom->tag;
		double **x = atom->x;
		double *prd_half = domain->prd_half;
		int i,ii,j;

		// trajectory information

+0 −7

Original line number	Diff line number	Diff line
		@@ -185,13 +185,6 @@ void DihedralOPLSIntel::eval(const int vflag,
		const flt_t vb3y = x[i4].y - x[i3].y;
		const flt_t vb3z = x[i4].z - x[i3].z;

		// 1-4

		const flt_t delx = x[i1].x - x[i4].x;
		const flt_t dely = x[i1].y - x[i4].y;
		const flt_t delz = x[i1].z - x[i4].z;


		// c0 calculation
		// 1st and 2nd angle