diff --git a/src/KOKKOS/Install.sh b/src/KOKKOS/Install.sh index 69620daa94..af77bcd206 100644 --- a/src/KOKKOS/Install.sh +++ b/src/KOKKOS/Install.sh @@ -77,8 +77,6 @@ action fix_nve_kokkos.cpp action fix_nve_kokkos.h action fix_nvt_kokkos.cpp action fix_nvt_kokkos.h -action fix_qeq_reax_kokkos.cpp fix_qeq_reax.cpp -action fix_qeq_reax_kokkos.h fix_qeq_reax.h action fix_setforce_kokkos.cpp action fix_setforce_kokkos.h action fix_wall_reflect_kokkos.cpp @@ -151,8 +149,6 @@ action pair_lj_gromacs_kokkos.cpp action pair_lj_gromacs_kokkos.h action pair_lj_sdk_kokkos.cpp pair_lj_sdk.cpp action pair_lj_sdk_kokkos.h pair_lj_sdk.h -action pair_reax_kokkos.cpp pair_reax.cpp -action pair_reax_kokkos.h pair_reax.h action pair_sw_kokkos.cpp pair_sw.cpp action pair_sw_kokkos.h pair_sw.h action pair_table_kokkos.cpp diff --git a/src/KOKKOS/kokkos_type.h b/src/KOKKOS/kokkos_type.h index dc52096d5a..6d8e822634 100644 --- a/src/KOKKOS/kokkos_type.h +++ b/src/KOKKOS/kokkos_type.h @@ -209,66 +209,6 @@ struct s_EV_FLOAT { }; typedef struct s_EV_FLOAT EV_FLOAT; -struct s_EV_FLOAT_REAX { - E_FLOAT evdwl; - E_FLOAT ecoul; - E_FLOAT v[6]; - E_FLOAT ereax[10]; - KOKKOS_INLINE_FUNCTION - s_EV_FLOAT_REAX() { - evdwl = 0; - ecoul = 0; - v[0] = 0; v[1] = 0; v[2] = 0; - v[3] = 0; v[4] = 0; v[5] = 0; - ereax[0] = 0; ereax[1] = 0; ereax[2] = 0; - ereax[3] = 0; ereax[4] = 0; ereax[5] = 0; - ereax[6] = 0; ereax[7] = 0; ereax[8] = 0; - } - - KOKKOS_INLINE_FUNCTION - void operator+=(const s_EV_FLOAT_REAX &rhs) { - evdwl += rhs.evdwl; - ecoul += rhs.ecoul; - v[0] += rhs.v[0]; - v[1] += rhs.v[1]; - v[2] += rhs.v[2]; - v[3] += rhs.v[3]; - v[4] += rhs.v[4]; - v[5] += rhs.v[5]; - ereax[0] += rhs.ereax[0]; - ereax[1] += rhs.ereax[1]; - ereax[2] += rhs.ereax[2]; - ereax[3] += rhs.ereax[3]; - ereax[4] += rhs.ereax[4]; - ereax[5] += rhs.ereax[5]; - ereax[6] += rhs.ereax[6]; - ereax[7] += rhs.ereax[7]; - ereax[8] += rhs.ereax[8]; - } - - KOKKOS_INLINE_FUNCTION - void operator+=(const volatile s_EV_FLOAT_REAX &rhs) volatile { - evdwl += rhs.evdwl; - ecoul += rhs.ecoul; - v[0] += rhs.v[0]; - v[1] += rhs.v[1]; - v[2] += rhs.v[2]; - v[3] += rhs.v[3]; - v[4] += rhs.v[4]; - v[5] += rhs.v[5]; - ereax[0] += rhs.ereax[0]; - ereax[1] += rhs.ereax[1]; - ereax[2] += rhs.ereax[2]; - ereax[3] += rhs.ereax[3]; - ereax[4] += rhs.ereax[4]; - ereax[5] += rhs.ereax[5]; - ereax[6] += rhs.ereax[6]; - ereax[7] += rhs.ereax[7]; - ereax[8] += rhs.ereax[8]; - } -}; -typedef struct s_EV_FLOAT_REAX EV_FLOAT_REAX; - #ifndef PREC_POS #define PREC_POS PRECISION #endif