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KIDS
ver-0.0.1
KIDS : Kernel Integrated Dynamics Simulator
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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 | |