Namespace deepmd

Namespaces

• Namespace deepmd::detail

Classes

• Struct deepmd_exception

• Struct deepmd_exception_nlist_capacity

• Struct deepmd_exception_oom

• Template Struct EwaldParameters

• Struct InputNlist

• Template Struct Region

Functions

• Template Function deepmd::build_nlist_cpu

• Template Function deepmd::build_nlist_gpu

• Template Function deepmd::compute_cell_info

• Function deepmd::convert_nlist

• Function deepmd::convert_nlist_gpu_device

• Template Function deepmd::convert_to_inter_cpu

• Template Function deepmd::convert_to_inter_gpu

• Template Function deepmd::convert_to_phys_cpu

• Template Function deepmd::convert_to_phys_gpu

• Template Function deepmd::copy_coord_cpu

• Template Function deepmd::copy_coord_gpu

• Function deepmd::cos_switch(const double&, const double&, const double&)

• Function deepmd::cos_switch(double&, double&, const double&, const double&, const double&)

• Template Function deepmd::cprod

• Function deepmd::cum_sum

• Template Function deepmd::delete_device_memory

• Template Function deepmd::dot1

• Template Function deepmd::dot2

• Template Function deepmd::dot3

• Template Function deepmd::dot4

• Template Function deepmd::dotmv3

• Function deepmd::DPGetDeviceCount

• Function deepmd::dprc_pairwise_map_cpu

• Function deepmd::DPSetDevice

• Template Function deepmd::env_mat_a_cpu

• Template Function deepmd::env_mat_a_nvnmd_quantize_cpu

• Function deepmd::env_mat_nbor_update

• Template Function deepmd::env_mat_r_cpu

• Template Function deepmd::ewald_recp

• Function deepmd::filter_ftype_gpu

• Template Function deepmd::format_nbor_list_gpu(int *, const FPTYPE *, const int *, const deepmd::InputNlist&, int *, uint_64 *, const int, const int, const int, const int, const float, const std::vector<int>)

• Template Function deepmd::format_nbor_list_gpu(int *, const FPTYPE *, const int *, const deepmd::InputNlist&, int *, uint_64 *, const int, const int, const int, const float, const std::vector<int>)

• Template Function deepmd::format_nlist_cpu

• Function deepmd::free_nlist_gpu_device

• Template Function deepmd::gelu_cpu

• Template Function deepmd::gelu_gpu

• Template Function deepmd::gelu_grad_cpu

• Template Function deepmd::gelu_grad_gpu

• Template Function deepmd::gelu_grad_grad_cpu

• Template Function deepmd::gelu_grad_grad_gpu

• Function deepmd::group_atoms_cpu

• Template Function deepmd::init_region_cpu

• Template Function deepmd::invsqrt

• Specialized Template Function deepmd::invsqrt< double >

• Specialized Template Function deepmd::invsqrt< float >

• Function deepmd::is_supported_se_a_basis_dimension

• Template Function deepmd::malloc_device_memory(FPTYPE *&, const std::vector<FPTYPE>&)

• Template Function deepmd::malloc_device_memory(FPTYPE *&, const int)

• Template Function deepmd::malloc_device_memory(FPTYPE *&, std::vector<FPTYPE>&)

• Template Function deepmd::malloc_device_memory_sync(FPTYPE *&, const std::vector<FPTYPE>&)

• Template Function deepmd::malloc_device_memory_sync(FPTYPE *&, const FPTYPE *, const int)

• Template Function deepmd::malloc_device_memory_sync(FPTYPE *&, std::vector<FPTYPE>&)

• Template Function deepmd::map_aparam_cpu

• Function deepmd::max_numneigh

• Template Function deepmd::memcpy_device_to_host(const FPTYPE *, std::vector<FPTYPE>&)

• Template Function deepmd::memcpy_device_to_host(const FPTYPE *, FPTYPE *, const int)

• Template Function deepmd::memcpy_host_to_device(FPTYPE *, const std::vector<FPTYPE>&)

• Template Function deepmd::memcpy_host_to_device(FPTYPE *, const FPTYPE *, const int)

• Template Function deepmd::memcpy_host_to_device(FPTYPE *, std::vector<FPTYPE>&)

• Template Function deepmd::memset_device_memory

• Template Function deepmd::normalize_coord_cpu

• Template Function deepmd::normalize_coord_gpu

• Template Function deepmd::pair_tab_cpu

• Template Function deepmd::prod_env_mat_a_cpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, const int, const FPTYPE *, const FPTYPE *, const int, const int, const int, const float, const float, const std::vector<int>, const int *)

• Template Function deepmd::prod_env_mat_a_cpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, const int, const FPTYPE *, const FPTYPE *, const int, const int, const float, const float, const std::vector<int>, const int *)

• Template Function deepmd::prod_env_mat_a_gpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, int *, unsigned long long *, const int, const FPTYPE *, const FPTYPE *, const int, const int, const int, const float, const float, const std::vector<int>, const int *)

• Template Function deepmd::prod_env_mat_a_gpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, int *, unsigned long long *, const int, const FPTYPE *, const FPTYPE *, const int, const int, const float, const float, const std::vector<int>, const int *)

• Template Function deepmd::prod_env_mat_a_nvnmd_quantize_cpu

• Template Function deepmd::prod_env_mat_r_cpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, const int, const FPTYPE *, const FPTYPE *, const int, const int, const int, const float, const float, const std::vector<int>)

• Template Function deepmd::prod_env_mat_r_cpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, const int, const FPTYPE *, const FPTYPE *, const int, const int, const float, const float, const std::vector<int>)

• Template Function deepmd::prod_env_mat_r_gpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, int *, unsigned long long *, const int, const FPTYPE *, const FPTYPE *, const int, const int, const int, const float, const float, const std::vector<int>)

• Template Function deepmd::prod_env_mat_r_gpu(FPTYPE *, FPTYPE *, FPTYPE *, int *, const FPTYPE *, const int *, const InputNlist&, int *, unsigned long long *, const int, const FPTYPE *, const FPTYPE *, const int, const int, const float, const float, const std::vector<int>)

• Template Function deepmd::prod_force_a_cpu(FPTYPE *, const FPTYPE *, const FPTYPE *, const int *, const int, const int, const int, const int)

• Template Function deepmd::prod_force_a_cpu(FPTYPE *, const FPTYPE *, const FPTYPE *, const int *, const int, const int, const int, const int, const int, const int)

• Template Function deepmd::prod_force_a_gpu

• Template Function deepmd::prod_force_grad_a_cpu

• Template Function deepmd::prod_force_grad_a_gpu

• Template Function deepmd::prod_force_grad_r_cpu

• Template Function deepmd::prod_force_grad_r_gpu

• Template Function deepmd::prod_force_r_cpu

• Template Function deepmd::prod_force_r_gpu

• Template Function deepmd::prod_virial_a_cpu

• Template Function deepmd::prod_virial_a_gpu

• Template Function deepmd::prod_virial_grad_a_cpu

• Template Function deepmd::prod_virial_grad_a_gpu

• Template Function deepmd::prod_virial_grad_r_cpu

• Template Function deepmd::prod_virial_grad_r_gpu

• Template Function deepmd::prod_virial_r_cpu

• Template Function deepmd::prod_virial_r_gpu

• Template Function deepmd::soft_min_switch_cpu

• Template Function deepmd::soft_min_switch_force_cpu

• Template Function deepmd::soft_min_switch_force_grad_cpu

• Template Function deepmd::soft_min_switch_virial_cpu

• Template Function deepmd::soft_min_switch_virial_grad_cpu

• Function deepmd::spline3_switch

• Template Function deepmd::spline5_switch

• Template Function deepmd::tabulate_fusion_se_a_cpu

• Template Function deepmd::tabulate_fusion_se_a_gpu

• Template Function deepmd::tabulate_fusion_se_a_grad_cpu

• Template Function deepmd::tabulate_fusion_se_a_grad_gpu

• Template Function deepmd::tabulate_fusion_se_a_grad_grad_cpu

• Template Function deepmd::tabulate_fusion_se_a_grad_grad_gpu

• Template Function deepmd::tabulate_fusion_se_r_cpu

• Template Function deepmd::tabulate_fusion_se_r_gpu

• Template Function deepmd::tabulate_fusion_se_r_grad_cpu

• Template Function deepmd::tabulate_fusion_se_r_grad_gpu

• Template Function deepmd::tabulate_fusion_se_r_grad_grad_cpu

• Template Function deepmd::tabulate_fusion_se_r_grad_grad_gpu

• Template Function deepmd::tabulate_fusion_se_t_cpu

• Template Function deepmd::tabulate_fusion_se_t_gpu

• Template Function deepmd::tabulate_fusion_se_t_grad_cpu

• Template Function deepmd::tabulate_fusion_se_t_grad_gpu

• Template Function deepmd::tabulate_fusion_se_t_grad_grad_cpu

• Template Function deepmd::tabulate_fusion_se_t_grad_grad_gpu

• Template Function deepmd::tabulate_fusion_se_t_tebd_cpu

• Template Function deepmd::tabulate_fusion_se_t_tebd_gpu

• Template Function deepmd::tabulate_fusion_se_t_tebd_grad_cpu

• Template Function deepmd::tabulate_fusion_se_t_tebd_grad_gpu

• Template Function deepmd::tabulate_fusion_se_t_tebd_grad_grad_cpu

• Template Function deepmd::tabulate_fusion_se_t_tebd_grad_grad_gpu

• Template Function deepmd::test_encoding_decoding_nbor_info_gpu

• Function deepmd::use_nei_info_cpu

• Function deepmd::use_nei_info_gpu

• Function deepmd::use_nlist_map

• Function deepmd::validate_nlist_gpu_capacity

• Template Function deepmd::volume_cpu

• Template Function deepmd::volume_gpu

Variables

• Variable deepmd::ElectrostaticConvertion