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/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/nvtit/
Dmd_iteration_gradient_descent_impl.cu21 __global__ void MD_Iteration_Gradient_Descent(const int atom_numbers, VECTOR *crd, VECTOR *frc, in MD_Iteration_Gradient_Descent()
35 void MDIterationGradientDescent(const int atom_numbers, float *crd, float *frc, const float learnin… in MDIterationGradientDescent()
Dmd_iteration_leap_frog_impl.cu24 … MD_Iteration_Leap_Frog(const int atom_numbers, VECTOR *vel, VECTOR *crd, VECTOR *frc, VECTOR *acc, in MD_Iteration_Leap_Frog()
46 void MDIterationLeapFrog(const int atom_numbers, float *vel, float *crd, float *frc, float *acc, in MDIterationLeapFrog()
Dmd_iteration_leap_frog_with_max_vel_impl.cu21 …teration_Leap_Frog_With_Max_Velocity(const int atom_numbers, VECTOR *vel, VECTOR *crd, VECTOR *frc, in MD_Iteration_Leap_Frog_With_Max_Velocity()
35 void MDIterationLeapFrogWithMaxVelocity(const int atom_numbers, float *vel, float *crd, float *frc,… in MDIterationLeapFrogWithMaxVelocity()
Dmd_iteration_leap_frog_liujian_gpu_impl.cu24VECTOR *frc, VECTOR *acc, VECTOR *random_frc, in MD_Iteration_Leap_Frog_With_LiuJian_kernel()
53 … float *sqrt_mass_inverse, float *vel, float *crd, float *frc, float *acc, in MD_Iteration_Leap_Frog_With_LiuJian()
Dmd_iteration_leap_frog_liujian_with_max_vel_impl.cu23 …const float *sqrt_mass_inverse, VECTOR *vel, VECTOR *crd, VECTOR *frc, VECTOR *acc, VECTOR *random… in MD_Iteration_Leap_Frog_With_LiuJian_With_Max_Velocity()
64 … float *sqrt_mass_inverse, float *vel, float *crd, float *frc, in MD_Iteration_Leap_Frog_With_LiuJian_With_Max_Vel()
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/restrain/
Drestrain_force_impl.cu23 VECTOR *frc) { in restrainforcekernel()
48 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in restrainforce() local
Drestrain_force_atom_energy_virial_impl.cu23 float *atom_virial, VECTOR *frc) { in restrain_force_with_atom_energy_and_virial()
50 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in restrainforcewithatomenergyandvirial() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/bond/
Dbond_force_cuda_gpu_impl.cu23 VECTOR *frc) { in BondForceCudaKernel()
55 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in BondForce() local
Dbond_force_with_atom_virial_impl.cu23 … const float *bond_k, const float *bond_r0, VECTOR *frc, in BondForceWithAtomVirialKernel()
61 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in BondForceWithAtomVirial() local
Dbond_force_with_atom_energy_impl.cu23 … const float *bond_k, const float *bond_r0, VECTOR *frc, in BondForceWithAtomEnergyKernel()
61 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in BondForceWithAtomEnergy() local
Dbond_force_with_atom_energy_and_virial_impl.cu23 … const float *bond_k, const float *bond_r0, VECTOR *frc, in BondForceWithAtomEnergyAndVirialKernel()
65 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in BondForceWithAtomEnergyAndVirial() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/angle/
Dangle_force_impl.cu23 const float *angle_theta0, VECTOR *frc) { in AngleForceKernel()
77 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in AngleForce() local
Dangle_force_with_atom_energy_impl.cu24 VECTOR *frc, float *atom_energy) { in AngleForceWithAtomEnergyKernel()
81 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in AngleForceWithAtomEnergy() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/pme/
Dpme_excluded_force_impl.cu22 … const int *excluded_list, const int *excluded_atom_numbers, VECTOR *frc) { in PME_Excluded_Force_Correction()
92 VECTOR *frc = reinterpret_cast<VECTOR *>(frc_f); in PMEExcludedForce() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/nb14/
Ddihedral_14_lj_force_impl.cu23 VECTOR *frc) { in Dihedral14LJForceKernel()
100 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in Dihedral14LJForce() local
Ddihedral_14_lj_force_with_direct_cf_impl.cu23 … const float *LJ_type_A, const float *LJ_type_B, VECTOR *frc) { in Dihedral14LJForceWithDirectCFKernel()
112 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in Dihedral14LJForceWithDirectCF() local
Ddihedral_14_lj_cf_force_with_atom_energy_and_virial_impl.cu23 const float *LJ_type_B, VECTOR *frc, float *atom_energy, float *atom_virial) { in Dihedral14LJCFForceWithAtomEnergyAndVirialKernel()
124 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in Dihedral14LJCFForceWithAtomEnergyAndVirial() local
Ddihedral_14_lj_cf_force_with_atom_energy_impl.cu24 … const float *LJ_type_B, VECTOR *frc, float *atom_energy) { in Dihedral14LJCFForceWithAtomEnergyKernel()
126 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in Dihedral14LJCFForceWithAtomEnergy() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/lj/
Dlj_force_impl.cu22 const float cutoff_square, VECTOR *frc) { in LJ_Force_CUDA()
96 VECTOR *frc = reinterpret_cast<VECTOR *>(frc_f); in LJForce() local
Dlj_force_with_pme_direct_force_impl.cu23VECTOR *frc, const float pme_beta, const float sqrt_pi) { in LJ_Force_With_Direct_CF_CUDA()
110 VECTOR *frc = reinterpret_cast<VECTOR *>(frc_f); in LJForceWithPMEDirectForce() local
Dlj_pme_direct_force_with_atom_energy_impl.cu23 … const float cutoff, VECTOR *frc, const float pme_beta, in LJ_Direct_CF_Force_With_Atom_Energy_CUDA()
122 VECTOR *frc = reinterpret_cast<VECTOR *>(frc_f); in LJDirectCFForceWithAtomEnergy() local
Dlj_direct_cf_force_with_lj_virial_direct_cf_energy_impl.cu26 …const float *LJ_type_A, const float *LJ_type_B, const float cutoff, VECTOR *frc, const float pme_b… in LJ_Direct_CF_Force_With_LJ_Virial_Direct_CF_Energy_CUDA()
119 VECTOR *frc = reinterpret_cast<VECTOR *>(frc_f); in LJ_Direct_CF_Force_With_LJ_Virial_Direct_CF_Energy() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/sponge/nvtit/
Dmd_iteration_gradient_descent_kernel.h54 auto frc = GetDeviceAddress<float>(inputs, 1); in Launch() local
Dmd_iteration_leap_frog_kernel.h58 auto frc = GetDeviceAddress<float>(inputs, 2); in Launch() local
/third_party/mindspore/mindspore/ccsrc/backend/kernel_compiler/gpu/cuda_impl/sponge/dihedral/
Ddihedral_force_impl.cu24 const float *pn, VECTOR *frc) { in DihedralForceKernel()
111 VECTOR *frc = const_cast<VECTOR *>(reinterpret_cast<const VECTOR *>(frc_f)); in DihedralForce() local

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