Commit 721b3124 authored by stamoor's avatar stamoor
Browse files

Fixing small bug in Kokkos pair styles with long-range Coulombics 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13496 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 48445741

src/KOKKOS/pair_buck_coul_long_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -259,7 +259,7 @@ KOKKOS_INLINE_FUNCTION 
F_FLOAT PairBuckCoulLongKokkos<DeviceType>::

compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,

              const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

  if(Specialisation::DoTable) {

  if(Specialisation::DoTable && rsq > tabinnersq) {

    union_int_float_t rsq_lookup;

    rsq_lookup.f = rsq;

    const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;

src/KOKKOS/pair_coul_long_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -213,7 +213,7 @@ KOKKOS_INLINE_FUNCTION 
F_FLOAT PairCoulLongKokkos<DeviceType>::

compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,

              const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

  if(Specialisation::DoTable) {

  if(Specialisation::DoTable && rsq > tabinnersq) {

    union_int_float_t rsq_lookup;

    rsq_lookup.f = rsq;

    const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;

src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -277,7 +277,7 @@ KOKKOS_INLINE_FUNCTION 
F_FLOAT PairLJCharmmCoulLongKokkos<DeviceType>::

compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,

              const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

  if(Specialisation::DoTable) {

  if(Specialisation::DoTable && rsq > tabinnersq) {

    union_int_float_t rsq_lookup;

    rsq_lookup.f = rsq;

    const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;

src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -249,7 +249,7 @@ KOKKOS_INLINE_FUNCTION 
F_FLOAT PairLJClass2CoulLongKokkos<DeviceType>::

compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,

              const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

  if(Specialisation::DoTable) {

  if(Specialisation::DoTable && rsq > tabinnersq) {

    union_int_float_t rsq_lookup;

    rsq_lookup.f = rsq;

    const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;

src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -240,7 +240,7 @@ KOKKOS_INLINE_FUNCTION 
F_FLOAT PairLJCutCoulLongKokkos<DeviceType>::

compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,

              const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

  if(Specialisation::DoTable) {

  if(Specialisation::DoTable && rsq > tabinnersq) {

    union_int_float_t rsq_lookup;

    rsq_lookup.f = rsq;

    const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;

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