KIDS  ver-0.0.1
KIDS : Kernel Integrated Dynamics Simulator
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kids Directory Reference
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Files

 Kernel_Conserve.h
 this file provides Kernel_Conserve class enabling energy tracing and conservation.
 
 Kernel_Dump_DataSet.h
 this file provides Kernel_Dump_DataSet class enabling dump dataset.
 
 Kernel_Elec.h
 initialization kernels for electonic DOFs
 
 Kernel_Elec_NAD.h
 this file provides Kernel_Elec_NAD class for electronic dynamics and properties in nonadiabatic trajectory dynamics.
 
 Kernel_Elec_Switch.h
 
 Kernel_Elec_Utils.h
 
 Kernel_GWP.h
 
 Kernel_Iter.h
 
 Kernel_Iter_Adapt.h
 
 Kernel_Load_DataSet.h
 
 Kernel_NADForce.h
 this file provides Kernel_NADForce class enabling force weighting from electronic properties.
 
 Kernel_Prioritization.h
 this file provides Kernel_Prioritization class enabling reordering different kernels in parsing Param, connecting DataSet and initial calculation.
 
 Kernel_Random.h
 
 Kernel_Read_Dimensions.h
 this file provides Kernel_Read_Dimensions class enabling reading and initializing the sizes and shapes of various variables
 
 Kernel_Recorder.h
 this file provides Kernel_Recorder class for trace data in dataset during the dynamics.
 
 Kernel_Representation.h
 
 Kernel_Thermostat.h
 
 Kernel_Update.h
 
 Kernel_Update_c.h
 
 Kernel_Update_p.h
 
 Kernel_Update_T.h
 
 Kernel_Update_x.h