Commit 37821f4f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

more specific style matching for kspace

parent bb36e6e3

src/REPLICA/verlet_split.cpp

+1 −1
Original line number Diff line number Diff line
@@ -223,7 +223,7 @@ void VerletSplit::init() 
  if (!force->kspace && comm->me == 0)

    error->warning(FLERR,"No Kspace calculation with verlet/split");



  if (force->kspace_match("tip4p",0)) tip4p_flag = 1;

  if (force->kspace_match("/tip4p",0)) tip4p_flag = 1;

  else tip4p_flag = 0;



  // currently TIP4P does not work with verlet/split, so generate error

src/USER-INTEL/verlet_lrt_intel.cpp

+1 −1
Original line number Diff line number Diff line
@@ -66,7 +66,7 @@ void VerletLRTIntel::init() 
{

  Verlet::init();



  _intel_kspace = (PPPMIntel*)(force->kspace_match("pppm/intel", 0));

  _intel_kspace = (PPPMIntel*)(force->kspace_match("^pppm/intel", 0));



  #ifndef LMP_INTEL_USELRT

  error->all(FLERR,

src/finish.cpp

+2 −1
Original line number Diff line number Diff line
@@ -35,6 +35,7 @@ 
#include "output.h"

#include "memory.h"

#include "error.h"

#include "utils.h"



#ifdef LMP_USER_OMP

#include "modify.h"
@@ -101,7 +102,7 @@ void Finish::end(int flag) 
    if (update->whichflag == 1 &&

        strncmp(update->integrate_style,"verlet/split",12) == 0 &&

        universe->iworld == 1) neighflag = 0;

    if (force->kspace && force->kspace_match("pppm",0)

    if (force->kspace && force->kspace_match("^pppm",0)

        && force->kspace->fftbench) fftflag = 1;

  }

  if (flag == 2) prdflag = timeflag = histoflag = neighflag = 1;

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