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Move some output information out of ESolver_KS_PW, not an easy task, actually. #6541

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Merged
merged 19 commits into from
Sep 29, 2025
Merged

Move some output information out of ESolver_KS_PW, not an easy task, actually. #6541

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415b55f
update small places in charge_mixing_residual.cpp
mohanchen Sep 26, 2025
1156f21
update charge_mixing_preconditioner
mohanchen Sep 26, 2025
8d8803b
add timers and remove some PARAM.inp.nspin
mohanchen Sep 26, 2025
91b9ceb
fix problems
mohanchen Sep 26, 2025
a7f6294
add timers
mohanchen Sep 26, 2025
9f95733
small fix
mohanchen Sep 26, 2025
f7f156d
fix a potential memory leak
mohanchen Sep 26, 2025
94e5780
fix bug
mohanchen Sep 27, 2025
8fed198
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
mohanchen Sep 27, 2025
8616ac3
add ctrl_output_pw files but cannot run now
mohanchen Sep 27, 2025
bbe4c3f
add some interfaces in ctrl_output_pw
mohanchen Sep 27, 2025
77ea800
keep fixing bugs
mohanchen Sep 27, 2025
5364e44
successfully compile the codes
mohanchen Sep 27, 2025
5534980
finally I understand Devicegit add ../source/source_base/module_devic…
mohanchen Sep 27, 2025
9a1c9fd
update function variables
mohanchen Sep 27, 2025
40fa9f0
one step further
mohanchen Sep 27, 2025
155c18d
move on
mohanchen Sep 27, 2025
9c1c376
update codes, done!
mohanchen Sep 27, 2025
e6623f1
fix bug
mohanchen Sep 28, 2025
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1 change: 1 addition & 0 deletions source/Makefile.Objects
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Original file line number Diff line number Diff line change
Expand Up @@ -580,6 +580,7 @@ OBJS_IO=input_conv.o\
output_mat_sparse.o\
ctrl_output_lcao.o\
ctrl_output_fp.o\
ctrl_output_pw.o\
para_json.o\
abacusjson.o\
general_info.o\
Expand Down
13 changes: 1 addition & 12 deletions source/source_base/module_device/device.h
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Expand Up @@ -11,16 +11,6 @@
namespace base_device
{

// struct CPU;
// struct GPU;

// enum AbacusDevice_t
// {
// UnKnown,
// CpuDevice,
// GpuDevice
// };

template <typename Device>
base_device::AbacusDevice_t get_device_type(const Device* dev);

Expand Down Expand Up @@ -73,7 +63,6 @@ int get_node_rank_with_mpi_shared(const MPI_Comm mpi_comm = MPI_COMM_WORLD);
int stringCmp(const void* a, const void* b);

#ifdef __CUDA

int set_device_by_rank(const MPI_Comm mpi_comm = MPI_COMM_WORLD);
#endif

Expand Down Expand Up @@ -122,4 +111,4 @@ static __inline__ __device__ double atomicAdd(double* address, double val)
}
#endif

#endif // MODULE_DEVICE_H_
#endif // MODULE_DEVICE_H_
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