consolidate kspace communication enumerators in kspace.h

src/DIELECTRIC/msm_dielectric.cpp

@@ -29,8 +29,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-enum{REVERSE_RHO,REVERSE_AD,REVERSE_AD_PERATOM};
-enum{FORWARD_RHO,FORWARD_AD,FORWARD_AD_PERATOM};
 /* ---------------------------------------------------------------------- */
 
 MSMDielectric::MSMDielectric(LAMMPS *_lmp) : MSM(_lmp)

src/DIELECTRIC/pppm_dielectric.cpp

@@ -36,10 +36,6 @@ using namespace MathConst;
 using namespace MathSpecial;
 
 static constexpr double SMALL = 0.00001;
-
-enum { REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
-
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
 /* ---------------------------------------------------------------------- */

src/DIELECTRIC/pppm_disp_dielectric.cpp

@@ -38,15 +38,6 @@ using namespace MathConst;
 static constexpr double SMALL = 0.00001;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum{REVERSE_RHO,REVERSE_RHO_GEOM,REVERSE_RHO_ARITH,REVERSE_RHO_NONE};
-enum{FORWARD_IK,FORWARD_AD,FORWARD_IK_PERATOM,FORWARD_AD_PERATOM,
-     FORWARD_IK_GEOM,FORWARD_AD_GEOM,
-     FORWARD_IK_PERATOM_GEOM,FORWARD_AD_PERATOM_GEOM,
-     FORWARD_IK_ARITH,FORWARD_AD_ARITH,
-     FORWARD_IK_PERATOM_ARITH,FORWARD_AD_PERATOM_ARITH,
-     FORWARD_IK_NONE,FORWARD_AD_NONE,FORWARD_IK_PERATOM_NONE,
-     FORWARD_AD_PERATOM_NONE};
-
 /* ---------------------------------------------------------------------- */
 
 PPPMDispDielectric::PPPMDispDielectric(LAMMPS *_lmp) : PPPMDisp(_lmp)

src/ELECTRODE/pppm_electrode.cpp

@@ -49,10 +49,6 @@ using namespace MathSpecial;
 static constexpr int MAXORDER = 7;
 static constexpr int OFFSET = 16384;
 static constexpr double EPS_HOC = 1.0e-7;
-
-enum { REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
-
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
 static const char cite_pppm_electrode[] =

src/GPU/pppm_gpu.cpp

@@ -39,9 +39,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-enum { REVERSE_RHO_GPU, REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
-
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
 // external functions from cuda library for atom decomposition

src/INTEL/pppm_disp_intel.cpp

@@ -42,13 +42,7 @@ using namespace MathSpecial;
 static constexpr int OFFSET = 16384;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum{GEOMETRIC,ARITHMETIC,SIXTHPOWER};
-enum{REVERSE_RHO, REVERSE_RHO_G, REVERSE_RHO_A, REVERSE_RHO_NONE};
-enum{FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM,
-     FORWARD_IK_G, FORWARD_AD_G, FORWARD_IK_PERATOM_G, FORWARD_AD_PERATOM_G,
-     FORWARD_IK_A, FORWARD_AD_A, FORWARD_IK_PERATOM_A, FORWARD_AD_PERATOM_A,
-     FORWARD_IK_NONE, FORWARD_AD_NONE, FORWARD_IK_PERATOM_NONE,
-     FORWARD_AD_PERATOM_NONE};
+enum{ GEOMETRIC, ARITHMETIC, SIXTHPOWER };
 
 /* ---------------------------------------------------------------------- */
 

src/INTEL/pppm_electrode_intel.cpp

@@ -51,8 +51,6 @@ using namespace std;
 
 static constexpr int OFFSET = 16384;
 
-enum { REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
 enum : bool { ELECTRODE = true, ELECTROLYTE = false };
 
 static constexpr FFT_SCALAR ZEROF = 0.0;

src/INTEL/pppm_intel.cpp

@@ -44,9 +44,6 @@ using namespace MathSpecial;
 static constexpr int OFFSET = 16384;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum { REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
-
 /* ---------------------------------------------------------------------- */
 
 PPPMIntel::PPPMIntel(LAMMPS *lmp) : PPPM(lmp)

src/KOKKOS/pppm_kokkos.cpp

@@ -46,9 +46,6 @@ static constexpr double SMALL = 0.00001;
 static constexpr double EPS_HOC = 1.0e-7;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum { REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_IK_PERATOM };
-
 /* ---------------------------------------------------------------------- */
 
 template<class DeviceType>

src/KSPACE/msm.cpp

@@ -39,9 +39,6 @@ using namespace MathConst;
 static constexpr int MAX_LEVELS = 10;
 static constexpr int OFFSET = 16384;
 
-enum { REVERSE_RHO, REVERSE_AD, REVERSE_AD_PERATOM };
-enum { FORWARD_RHO, FORWARD_AD, FORWARD_AD_PERATOM };
-
 /* ---------------------------------------------------------------------- */
 
 MSM::MSM(LAMMPS *lmp)

src/KSPACE/msm_cg.cpp

@@ -34,9 +34,6 @@ using namespace LAMMPS_NS;
 static constexpr int OFFSET = 16384;
 static constexpr double SMALLQ = 0.00001;
 
-enum{REVERSE_RHO,REVERSE_AD,REVERSE_AD_PERATOM};
-enum{FORWARD_RHO,FORWARD_AD,FORWARD_AD_PERATOM};
-
 /* ---------------------------------------------------------------------- */
 
 MSMCG::MSMCG(LAMMPS *lmp) : MSM(lmp),

src/KSPACE/pppm.cpp

@@ -50,9 +50,6 @@ static constexpr double SMALL = 0.00001;
 static constexpr double EPS_HOC = 1.0e-7;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum { REVERSE_RHO };
-enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
-
 /* ---------------------------------------------------------------------- */
 
 PPPM::PPPM(LAMMPS *lmp) : KSpace(lmp),

src/KSPACE/pppm_cg.cpp

@@ -35,10 +35,6 @@ using namespace MathConst;
 
 static constexpr int OFFSET = 16384;
 static constexpr double SMALLQ = 0.00001;
-
-enum{REVERSE_RHO};
-enum{FORWARD_IK,FORWARD_AD,FORWARD_IK_PERATOM,FORWARD_AD_PERATOM};
-
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
 /* ---------------------------------------------------------------------- */

src/KSPACE/pppm_dipole.cpp

@@ -46,9 +46,6 @@ static constexpr double SMALL = 0.00001;
 static constexpr double EPS_HOC = 1.0e-7;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum { REVERSE_MU };
-enum { FORWARD_MU, FORWARD_MU_PERATOM };
-
 /* ---------------------------------------------------------------------- */
 
 PPPMDipole::PPPMDipole(LAMMPS *lmp) : PPPM(lmp),

src/KSPACE/pppm_dipole_spin.cpp

@@ -36,10 +36,6 @@ using namespace LAMMPS_NS;
 using namespace MathConst;
 
 static constexpr int MAXORDER = 7;
-
-enum { REVERSE_MU };
-enum { FORWARD_MU, FORWARD_MU_PERATOM };
-
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
 /* ---------------------------------------------------------------------- */

src/KSPACE/pppm_disp.cpp

@@ -46,15 +46,6 @@ static constexpr double SMALL = 0.00001;
 static constexpr double LARGE = 10000.0;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum{REVERSE_RHO,REVERSE_RHO_GEOM,REVERSE_RHO_ARITH,REVERSE_RHO_NONE};
-enum{FORWARD_IK,FORWARD_AD,FORWARD_IK_PERATOM,FORWARD_AD_PERATOM,
-     FORWARD_IK_GEOM,FORWARD_AD_GEOM,
-     FORWARD_IK_PERATOM_GEOM,FORWARD_AD_PERATOM_GEOM,
-     FORWARD_IK_ARITH,FORWARD_AD_ARITH,
-     FORWARD_IK_PERATOM_ARITH,FORWARD_AD_PERATOM_ARITH,
-     FORWARD_IK_NONE,FORWARD_AD_NONE,FORWARD_IK_PERATOM_NONE,
-     FORWARD_AD_PERATOM_NONE};
-
 /* ---------------------------------------------------------------------- */
 
 PPPMDisp::PPPMDisp(LAMMPS *lmp) : KSpace(lmp),

src/KSPACE/pppm_stagger.cpp

@@ -37,9 +37,6 @@ static constexpr int OFFSET = 16384;
 static constexpr double EPS_HOC = 1.0e-7;
 static constexpr FFT_SCALAR ZEROF = 0.0;
 
-enum{ REVERSE_RHO };
-enum{ FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
-
 /* ---------------------------------------------------------------------- */
 
 PPPMStagger::PPPMStagger(LAMMPS *lmp) :

src/OPENMP/msm_cg_omp.cpp

@@ -41,9 +41,6 @@ using namespace LAMMPS_NS;
 static constexpr int OFFSET = 16384;
 static constexpr double SMALLQ = 0.00001;
 
-enum{REVERSE_RHO,REVERSE_AD,REVERSE_AD_PERATOM};
-enum{FORWARD_RHO,FORWARD_AD,FORWARD_AD_PERATOM};
-
 /* ---------------------------------------------------------------------- */
 
 MSMCGOMP::MSMCGOMP(LAMMPS *lmp) : MSMOMP(lmp),

src/kspace.h

@@ -23,6 +23,39 @@ class KSpace : protected Pointers {
   friend class FixOMP;
 
  public:
+  enum {
+    REVERSE_RHO,
+    REVERSE_RHO_GEOM,
+    REVERSE_RHO_ARITH,
+    REVERSE_RHO_NONE,
+    REVERSE_RHO_GPU,
+    REVERSE_AD,
+    REVERSE_AD_PERATOM,
+    REVERSE_MU,
+    REVERSE_MU_PERATOM
+  };
+  enum {
+    FORWARD_RHO,
+    FORWARD_IK,
+    FORWARD_AD,
+    FORWARD_MU,
+    FORWARD_IK_PERATOM,
+    FORWARD_AD_PERATOM,
+    FORWARD_MU_PERATOM,
+    FORWARD_IK_GEOM,
+    FORWARD_AD_GEOM,
+    FORWARD_IK_PERATOM_GEOM,
+    FORWARD_AD_PERATOM_GEOM,
+    FORWARD_IK_ARITH,
+    FORWARD_AD_ARITH,
+    FORWARD_IK_PERATOM_ARITH,
+    FORWARD_AD_PERATOM_ARITH,
+    FORWARD_IK_NONE,
+    FORWARD_AD_NONE,
+    FORWARD_IK_PERATOM_NONE,
+    FORWARD_AD_PERATOM_NONE
+  };
+
   double energy;    // accumulated energies
   double energy_1, energy_6;
   double virial[6];          // accumulated virial: xx,yy,zz,xy,xz,yz