Commit 17c81295 authored by Sebastian Hütter's avatar Sebastian Hütter
Browse files

use ev_init for fixes

parent 06a57dd6

src/LATTE/fix_latte.cpp

+1 −2
Original line number Diff line number Diff line
@@ -239,8 +239,7 @@ void FixLatte::pre_reverse(int eflag, int /*vflag*/) 
void FixLatte::post_force(int vflag)

{

  int eflag = eflag_caller;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;

  ev_init(eflag,vflag);



  // compute Coulombic potential = pe[i]/q[i]

  // invoke compute pe/atom

src/MOLECULE/fix_cmap.cpp

+1 −2
Original line number Diff line number Diff line
@@ -341,8 +341,7 @@ void FixCMAP::post_force(int vflag) 


  ecmap = 0.0;

  int eflag = eflag_caller;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  ev_init(eflag,vflag);



  for (n = 0; n < ncrosstermlist; n++) {

    i1 = crosstermlist[n][0];

src/fix.h

+4 −0
Original line number Diff line number Diff line
@@ -224,6 +224,10 @@ class Fix : protected Pointers { 
  int dynamic;    // recount atoms for temperature computes



  void ev_setup(int, int);

  void ev_init(int eflag, int vflag) {

    if (eflag||vflag) ev_setup(eflag, vflag);

    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;

  }

  void ev_tally(int, int *, double, double, double *);

  void v_setup(int);

  void v_tally(int, int *, double, double *);

src/fix_external.cpp

+1 −2
Original line number Diff line number Diff line
@@ -141,8 +141,7 @@ void FixExternal::post_force(int vflag) 
  bigint ntimestep = update->ntimestep;



  int eflag = eflag_caller;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = 0;

  ev_init(eflag,vflag);



  // invoke the callback in driver program

  // it will fill fexternal with forces

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