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remove dead code and fix compilation for fix mscg

This commit is contained in:
Axel Kohlmeyer 2018-05-05 03:33:12 -04:00
parent 88dca11b3c
commit 14588f6242
2 changed files with 1 additions and 9 deletions
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3
src/MSCG/fix_mscg.cpp
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@ -21,6 +21,7 @@
#include "fix_mscg.h" #include "fix_mscg.h"
#include "mscg.h" #include "mscg.h"
#include "atom.h" #include "atom.h"
#include "comm.h"
#include "domain.h" #include "domain.h"
#include "error.h" #include "error.h"
#include "force.h" #include "force.h"
@ -284,11 +285,9 @@ void FixMSCG::end_of_step()
if (domain->triclinic == 1) if (domain->triclinic == 1)
error->all(FLERR,"Fix mscg does not yet support triclinic geometries"); error->all(FLERR,"Fix mscg does not yet support triclinic geometries");
int natoms = atom->natoms;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
tagint *tag = atom->tag; tagint *tag = atom->tag;
double **x = atom->x; double **x = atom->x;
double *prd_half = domain->prd_half;
int i,ii,j; int i,ii,j;
// trajectory information // trajectory information

7
src/USER-INTEL/dihedral_opls_intel.cpp
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@ -185,13 +185,6 @@ void DihedralOPLSIntel::eval(const int vflag,
const flt_t vb3y = x[i4].y - x[i3].y; const flt_t vb3y = x[i4].y - x[i3].y;
const flt_t vb3z = x[i4].z - x[i3].z; 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 // c0 calculation
// 1st and 2nd angle // 1st and 2nd angle