/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | improper_class2_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 34 template<int NEWTON_BOND, int EVFLAG> 50 template<int NEWTON_BOND, int EVFLAG> 52 void operator()(TagImproperClass2Compute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 54 template<int NEWTON_BOND, int EVFLAG> 56 void operator()(TagImproperClass2Compute<NEWTON_BOND,EVFLAG>, const int&) const; 58 template<int NEWTON_BOND, int EVFLAG> 60 void operator()(TagImproperClass2AngleAngle<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 62 template<int NEWTON_BOND, int EVFLAG> 64 void operator()(TagImproperClass2AngleAngle<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | angle_cosine_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagAngleCosineCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagAngleCosineCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | angle_harmonic_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagAngleHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagAngleHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | bond_harmonic_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagBondHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagBondHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | bond_class2_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 48 template<int NEWTON_BOND, int EVFLAG> 50 void operator()(TagBondClass2Compute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 52 template<int NEWTON_BOND, int EVFLAG> 54 void operator()(TagBondClass2Compute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | bond_fene_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagBondFENECompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagBondFENECompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | dihedral_harmonic_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagDihedralHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagDihedralHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | dihedral_opls_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagDihedralOPLSCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagDihedralOPLSCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | angle_class2_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 48 template<int NEWTON_BOND, int EVFLAG> 50 void operator()(TagAngleClass2Compute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 52 template<int NEWTON_BOND, int EVFLAG> 54 void operator()(TagAngleClass2Compute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | angle_charmm_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 46 template<int NEWTON_BOND, int EVFLAG> 48 void operator()(TagAngleCharmmCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 50 template<int NEWTON_BOND, int EVFLAG> 52 void operator()(TagAngleCharmmCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | improper_harmonic_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagImproperHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagImproperHarmonicCompute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | dihedral_class2_kokkos.h | 31 template<int NEWTON_BOND, int EVFLAG> 47 template<int NEWTON_BOND, int EVFLAG> 49 void operator()(TagDihedralClass2Compute<NEWTON_BOND,EVFLAG>, const int&, EV_FLOAT&) const; 51 template<int NEWTON_BOND, int EVFLAG> 53 void operator()(TagDihedralClass2Compute<NEWTON_BOND,EVFLAG>, const int&) const;
|
H A D | bond_harmonic_kokkos.cpp | 137 template<int NEWTON_BOND, int EVFLAG> 139 void BondHarmonicKokkos<DeviceType>::operator()(TagBondHarmonicCompute<NEWTON_BOND,EVFLAG>, const i… in operator ()() argument 165 if (NEWTON_BOND || i1 < nlocal) { in operator ()() 171 if (NEWTON_BOND || i2 < nlocal) { in operator ()() 181 template<int NEWTON_BOND, int EVFLAG> 183 void BondHarmonicKokkos<DeviceType>::operator()(TagBondHarmonicCompute<NEWTON_BOND,EVFLAG>, const i… in operator ()() argument 185 …this->template operator()<NEWTON_BOND,EVFLAG>(TagBondHarmonicCompute<NEWTON_BOND,EVFLAG>(), n, ev); in operator ()()
|
H A D | angle_cosine_kokkos.cpp | 141 template<int NEWTON_BOND, int EVFLAG> 143 void AngleCosineKokkos<DeviceType>::operator()(TagAngleCosineCompute<NEWTON_BOND,EVFLAG>, const int… in operator ()() argument 198 if (NEWTON_BOND || i1 < nlocal) { in operator ()() 204 if (NEWTON_BOND || i2 < nlocal) { in operator ()() 210 if (NEWTON_BOND || i3 < nlocal) { in operator ()() 221 template<int NEWTON_BOND, int EVFLAG> 223 void AngleCosineKokkos<DeviceType>::operator()(TagAngleCosineCompute<NEWTON_BOND,EVFLAG>, const int… in operator ()() argument 225 this->template operator()<NEWTON_BOND,EVFLAG>(TagAngleCosineCompute<NEWTON_BOND,EVFLAG>(), n, ev); in operator ()()
|
H A D | bond_class2_kokkos.cpp | 139 template<int NEWTON_BOND, int EVFLAG> 141 void BondClass2Kokkos<DeviceType>::operator()(TagBondClass2Compute<NEWTON_BOND,EVFLAG>, const int &… in operator ()() argument 170 if (NEWTON_BOND || i1 < nlocal) { in operator ()() 176 if (NEWTON_BOND || i2 < nlocal) { in operator ()() 188 template<int NEWTON_BOND, int EVFLAG> 190 void BondClass2Kokkos<DeviceType>::operator()(TagBondClass2Compute<NEWTON_BOND,EVFLAG>, const int &… in operator ()() argument 192 this->template operator()<NEWTON_BOND,EVFLAG>(TagBondClass2Compute<NEWTON_BOND,EVFLAG>(), n, ev); in operator ()()
|
H A D | angle_harmonic_kokkos.cpp | 142 template<int NEWTON_BOND, int EVFLAG> 144 void AngleHarmonicKokkos<DeviceType>::operator()(TagAngleHarmonicCompute<NEWTON_BOND,EVFLAG>, const… in operator ()() argument 207 if (NEWTON_BOND || i1 < nlocal) { in operator ()() 213 if (NEWTON_BOND || i2 < nlocal) { in operator ()() 219 if (NEWTON_BOND || i3 < nlocal) { in operator ()() 230 template<int NEWTON_BOND, int EVFLAG> 232 void AngleHarmonicKokkos<DeviceType>::operator()(TagAngleHarmonicCompute<NEWTON_BOND,EVFLAG>, const… in operator ()() argument 234 …this->template operator()<NEWTON_BOND,EVFLAG>(TagAngleHarmonicCompute<NEWTON_BOND,EVFLAG>(), n, ev… in operator ()()
|
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | improper_fourier_omp.cpp | 83 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 117 add1_thr<EVFLAG,EFLAG,NEWTON_BOND>(i1,i2,i3,i4,type, in eval() 122 add1_thr<EVFLAG,EFLAG,NEWTON_BOND>(i1,i4,i2,i3,type, in eval() 126 add1_thr<EVFLAG,EFLAG,NEWTON_BOND>(i1,i3,i4,i2,type, in eval() 134 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 238 if (NEWTON_BOND || i1 < nlocal) { in add1_thr() 244 if (NEWTON_BOND || i2 < nlocal) { in add1_thr() 250 if (NEWTON_BOND || i3 < nlocal) { in add1_thr() 256 if (NEWTON_BOND || i4 < nlocal) { in add1_thr() 263 ev_tally_thr(this,i1,i2,i3,i4,nlocal,NEWTON_BOND,eimproper,f1,f2,f4, in add1_thr()
|
H A D | bond_quartic_omp.cpp | 86 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 159 if (NEWTON_BOND || i1 < nlocal) { in eval() 165 if (NEWTON_BOND || i2 < nlocal) { in eval() 171 if (EVFLAG) ev_tally_thr(this,i1,i2,nlocal,NEWTON_BOND,ebond,fbond,delx,dely,delz,thr); in eval() 184 if (NEWTON_BOND || i1 < nlocal) { in eval() 189 if (NEWTON_BOND || i2 < nlocal) { in eval() 195 if (EVFLAG) ev_tally_thr(force->pair,i1,i2,nlocal,NEWTON_BOND, in eval()
|
H A D | dihedral_charmm_omp.cpp | 89 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 237 if (NEWTON_BOND || i1 < nlocal) { in eval() 243 if (NEWTON_BOND || i2 < nlocal) { in eval() 249 if (NEWTON_BOND || i3 < nlocal) { in eval() 255 if (NEWTON_BOND || i4 < nlocal) { in eval() 262 ev_tally_thr(this,i1,i2,i3,i4,nlocal,NEWTON_BOND,edihedral,f1,f3,f4, in eval() 289 if (NEWTON_BOND || i1 < nlocal) { in eval() 294 if (NEWTON_BOND || i4 < nlocal) { in eval() 300 if (EVFLAG) ev_tally_thr(force->pair,i1,i4,nlocal,NEWTON_BOND, in eval()
|
H A D | angle_cosine_omp.cpp | 81 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 144 if (NEWTON_BOND || i1 < nlocal) { in eval() 150 if (NEWTON_BOND || i2 < nlocal) { in eval() 156 if (NEWTON_BOND || i3 < nlocal) { in eval() 162 if (EVFLAG) ev_tally_thr(this,i1,i2,i3,nlocal,NEWTON_BOND,eangle,f1,f3, in eval()
|
H A D | improper_cossq_omp.cpp | 83 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 222 if (NEWTON_BOND || i1 < nlocal) { in eval() 228 if (NEWTON_BOND || i2 < nlocal) { in eval() 234 if (NEWTON_BOND || i3 < nlocal) { in eval() 240 if (NEWTON_BOND || i4 < nlocal) { in eval() 247 ev_tally_thr(this,i1,i2,i3,i4,nlocal,NEWTON_BOND,eimproper,f1,f3,f4, in eval()
|
H A D | bond_gromos_omp.cpp | 78 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 111 if (NEWTON_BOND || i1 < nlocal) { in eval() 117 if (NEWTON_BOND || i2 < nlocal) { in eval() 123 if (EVFLAG) ev_tally_thr(this,i1,i2,nlocal,NEWTON_BOND, in eval()
|
H A D | bond_harmonic_omp.cpp | 80 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 116 if (NEWTON_BOND || i1 < nlocal) { in eval() 122 if (NEWTON_BOND || i2 < nlocal) { in eval() 128 if (EVFLAG) ev_tally_thr(this,i1,i2,nlocal,NEWTON_BOND, in eval()
|
H A D | bond_table_omp.cpp | 80 template <int EVFLAG, int EFLAG, int NEWTON_BOND> 114 if (NEWTON_BOND || i1 < nlocal) { in eval() 120 if (NEWTON_BOND || i2 < nlocal) { in eval() 126 if (EVFLAG) ev_tally_thr(this,i1,i2,nlocal,NEWTON_BOND, in eval()
|
/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
H A D | dihedral_charmm_intel.cpp | 347 if (NEWTON_BOND || i2 < nlocal) { 353 if (NEWTON_BOND || i3 < nlocal) { 375 if (NEWTON_BOND || i1 < nlocal) { 380 if (NEWTON_BOND || i4 < nlocal) { 388 if (NEWTON_BOND || i1 < nlocal) 390 if (NEWTON_BOND || i4 < nlocal) 403 if (NEWTON_BOND || i1 < nlocal) 430 if (NEWTON_BOND || i1 < nlocal) { 436 if (NEWTON_BOND || i4 < nlocal) { 744 if (NEWTON_BOND) ev_pre = one; [all …]
|