Commit 6106843d authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 1bdd915a

src/Depend.sh

+6 −0
Original line number Diff line number Diff line
@@ -77,6 +77,7 @@ if (test $1 = "KSPACE") then 
  depend USER-OMP

  depend USER-INTEL

  depend USER-PHONON

  depend USER-FEP

fi



if (test $1 = "MANYBODY") then
@@ -94,6 +95,7 @@ if (test $1 = "MOLECULE") then 
  depend USER-CUDA

  depend USER-MISC

  depend USER-OMP

  depend USER-FEP

  depend USER-INTEL

fi
@@ -112,6 +114,10 @@ if (test $1 = "USER-CG-CMM") then 
  depend USER-OMP

fi



if (test $1 = "USER-FEP") then

  depend USER-OMP

fi



if (test $1 = "USER-MISC") then

  depend GPU

  depend USER-OMP

src/KSPACE/pppm.cpp

+10 −0
Original line number Diff line number Diff line
@@ -385,6 +385,16 @@ void PPPM::setup() 
    return;

  }



  // perform some checks to avoid illegal boundaries with read_data



  if (slabflag == 0 && domain->nonperiodic > 0)

    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPM");

  if (slabflag) {

    if (domain->xperiodic != 1 || domain->yperiodic != 1 ||

        domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)

      error->all(FLERR,"Incorrect boundaries with slab PPPM");

  }



  int i,j,k,n;

  double *prd;

src/KSPACE/pppm_disp.cpp

+9 −0
Original line number Diff line number Diff line
@@ -603,6 +603,15 @@ void PPPMDisp::init() 


void PPPMDisp::setup()

{



  if (slabflag == 0 && domain->nonperiodic > 0)

    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPMDisp");

  if (slabflag == 1) {

    if (domain->xperiodic != 1 || domain->yperiodic != 1 || 

	domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)

      error->all(FLERR,"Incorrect boundaries with slab PPPMDisp");

  }

 

  double *prd;



  // volume-dependent factors

src/USER-MISC/pair_meam_spline.h

+2 −2
Original line number Diff line number Diff line
@@ -74,8 +74,8 @@ protected: 
                }



                /// Initialization of spline function.

                void init(int _N, double _deriv0, double _derivN) {

                        N = _N;

                void init(int _n, double _deriv0, double _derivN) {

                        N = _n;

                        deriv0 = _deriv0;

                        derivN = _derivN;

                        delete[] X;

src/USER-MISC/pair_meam_sw_spline.h

+2 −2
Original line number Diff line number Diff line
@@ -74,8 +74,8 @@ protected: 
                }



                /// Initialization of spline function.

                void init(int _N, double _deriv0, double _derivN) {

                        N = _N;

                void init(int _n, double _deriv0, double _derivN) {

                        N = _n;

                        deriv0 = _deriv0;

                        derivN = _derivN;

                        delete[] X;

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