cal_mlkedf_descriptors.h File Reference

#include <vector>
#include "source_base/global_function.h"
#include "source_pw/module_pwdft/global.h"
#include "source_io/module_parameter/parameter.h"

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Classes
class	ModuleIO::Cal_MLKEDF_Descriptors
	A class to calculate the descriptors for ML KEDF. Sun, Liang, and Mohan Chen. Physical Review B 109.11 (2024): 115135. Sun, Liang, and Mohan Chen. Electronic Structure 6.4 (2024): 045006. More...

Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.