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Merged
brucefan1983 merged 1 commit into from
Oct 26, 2026
Merged

move nep_evaluate #1857

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11 changes: 11 additions & 0 deletions src/main_nep/nep/nep_evaluate.cu → src/main_nep/common/nep_evaluate.cu
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Original file line number Diff line number Diff line change
Expand Up @@ -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_);
}
0 src/main_nep/nep/nep_evaluate.cuh → src/main_nep/common/nep_evaluate.cuh
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11 changes: 0 additions & 11 deletions src/main_nep/nep/nep.cu
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Expand Up @@ -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) {
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2 changes: 1 addition & 1 deletion src/main_nep/nep/nep.cuh
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Expand Up @@ -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 <memory>

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