diff --git a/src/KOKKOS/fft3d_kokkos.cpp b/src/KOKKOS/fft3d_kokkos.cpp index 21a3d52e50..a8b366d389 100644 --- a/src/KOKKOS/fft3d_kokkos.cpp +++ b/src/KOKKOS/fft3d_kokkos.cpp @@ -127,7 +127,7 @@ void FFT3dKokkos::timing1d(typename FFT_AT::t_FFT_SCALAR_1d d_in, in in starting address of input data on this proc out starting address of where output data for this proc will be placed (can be same as in) - flag 1 for forward FFT, -1 for inverse FFT + flag 1 for forward FFT, -1 for backward FFT plan plan returned by previous call to fft_3d_create_plan ------------------------------------------------------------------------- */ @@ -805,7 +805,7 @@ void FFT3dKokkos::bifactor(int n, int *factor1, int *factor2) Arguments: in starting address of input data on this proc, all set to 0.0 nsize size of in - flag 1 for forward FFT, -1 for inverse FFT + flag 1 for forward FFT, -1 for backward FFT plan plan returned by previous call to fft_3d_create_plan ------------------------------------------------------------------------- */ diff --git a/src/KOKKOS/pppm_kokkos.cpp b/src/KOKKOS/pppm_kokkos.cpp index 86a8401e7e..edee26e645 100644 --- a/src/KOKKOS/pppm_kokkos.cpp +++ b/src/KOKKOS/pppm_kokkos.cpp @@ -1693,7 +1693,7 @@ void PPPMKokkos::poisson_ik() return; } - // compute gradients of V(r) in each of 3 dims by transformimg -ik*V(k) + // compute gradients of V(r) in each of 3 dims by transforming ik*V(k) // FFT leaves data in 3d brick decomposition // copy it into inner portion of vdx,vdy,vdz arrays @@ -1868,7 +1868,7 @@ void PPPMKokkos::poisson_ik_triclinic() { // int i,j,k,n; // -// // compute gradients of V(r) in each of 3 dims by transformimg -ik*V(k) +// // compute gradients of V(r) in each of 3 dims by transforming ik*V(k) // // FFT leaves data in 3d brick decomposition // // copy it into inner portion of vdx,vdy,vdz arrays // diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index 1d50eab50d..e803a57fb3 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -2059,7 +2059,7 @@ void PPPM::poisson_ik() return; } - // compute gradients of V(r) in each of 3 dims by transformimg ik*V(k) + // compute gradients of V(r) in each of 3 dims by transforming ik*V(k) // FFT leaves data in 3d brick decomposition // copy it into inner portion of vdx,vdy,vdz arrays @@ -2135,7 +2135,7 @@ void PPPM::poisson_ik_triclinic() { int i,j,k,n; - // compute gradients of V(r) in each of 3 dims by transformimg ik*V(k) + // compute gradients of V(r) in each of 3 dims by transforming ik*V(k) // FFT leaves data in 3d brick decomposition // copy it into inner portion of vdx,vdy,vdz arrays diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp index 0ab8025b8f..8619545ba3 100644 --- a/src/KSPACE/pppm_disp.cpp +++ b/src/KSPACE/pppm_disp.cpp @@ -1194,7 +1194,7 @@ void PPPMDisp::compute(int eflag, int vflag) if (evflag_atom) fieldforce_none_peratom(); } - // update qsum and qsqsum,if atom count has changed and energy needed + // update qsum and qsqsum, if atom count has changed and energy needed if ((eflag_global || eflag_atom) && atom->natoms != natoms_original) { qsum_qsq(); @@ -1214,7 +1214,7 @@ void PPPMDisp::compute(int eflag, int vflag) energy_1 *= 0.5*volume; energy_6 *= 0.5*volume; - + energy_1 -= g_ewald*qsqsum/MY_PIS + MY_PI2*qsum*qsum / (g_ewald*g_ewald*volume); energy_6 += - MY_PI*MY_PIS/(6*volume)*pow(g_ewald_6,3)*csumij + @@ -3186,7 +3186,7 @@ double PPPMDisp::compute_qopt_ad() sum2 *= sum2; qopt += sum1 - sum2/(sum3*sum4); } - + return qopt; } @@ -4842,7 +4842,7 @@ void PPPMDisp::poisson_peratom(FFT_SCALAR* wk1, FFT_SCALAR* wk2, LAMMPS_NS::FFT3 } // v2 & v3 term - + n = 0; for (i = 0; i < nft; i++) { wk2[n] = wk1[n]*vcoeff[i][2] + wk1[n+1]*vcoeff2[i][0];