diff --git a/src/main_nep/nep/nep_evaluate.cu b/src/main_nep/common/nep_evaluate.cu similarity index 98% rename from src/main_nep/nep/nep_evaluate.cu rename to src/main_nep/common/nep_evaluate.cu index 9975bbf1b..bf0eaba8d 100644 --- a/src/main_nep/nep/nep_evaluate.cu +++ b/src/main_nep/common/nep_evaluate.cu @@ -713,3 +713,14 @@ void NEP_Compiled_Evaluation::launch_force_angular( sum_fxyz, 0, fx, fy, fz, virial), "force_angular_jit"); } + +NEP_Compiled_Evaluation::NEP_Compiled_Evaluation(const NEP_Compile_Config& config) + : library(config) +{ + if (!library.is_valid()) { + return; + } + valid = common.load(library); + valid &= library.load_symbol("nep_train_launch_ann_nep", ann_nep_); + valid &= library.load_symbol("nep_train_launch_ann_temperature", ann_temperature_); +} diff --git a/src/main_nep/nep/nep_evaluate.cuh b/src/main_nep/common/nep_evaluate.cuh similarity index 100% rename from src/main_nep/nep/nep_evaluate.cuh rename to src/main_nep/common/nep_evaluate.cuh diff --git a/src/main_nep/nep/nep.cu b/src/main_nep/nep/nep.cu index 65f2d0c78..7e791dab3 100644 --- a/src/main_nep/nep/nep.cu +++ b/src/main_nep/nep/nep.cu @@ -107,17 +107,6 @@ NEP_Compile_Config make_compile_config( } } // namespace -NEP_Compiled_Evaluation::NEP_Compiled_Evaluation(const NEP_Compile_Config& config) - : library(config) -{ - if (!library.is_valid()) { - return; - } - valid = common.load(library); - valid &= library.load_symbol("nep_train_launch_ann_nep", ann_nep_); - valid &= library.load_symbol("nep_train_launch_ann_temperature", ann_temperature_); -} - void NEP::initialize_compiled_kernel(const NEP_Potential_Parameters& para) { if (para.nep_compile && para.prediction == 0) { diff --git a/src/main_nep/nep/nep.cuh b/src/main_nep/nep/nep.cuh index 16c958146..18954d1da 100644 --- a/src/main_nep/nep/nep.cuh +++ b/src/main_nep/nep/nep.cuh @@ -21,7 +21,7 @@ #include "main_nep/common/nep_batch_data.cuh" #include "main_nep/common/energy_difference.cuh" #include "main_nep/common/nep_compile.cuh" -#include "nep_evaluate.cuh" +#include "main_nep/common/nep_evaluate.cuh" #include "main_nep/common/nep_common.cuh" #include