File List

Here is a list of all files with brief descriptions:

[detail level 12345678910]

▼ home
▼ shin
▼ share
▼ KIDS
▼ docs
api
dev
manu
▼ generate
version.h
▼ generate_helper
generate_factory.py
generate_pybind11.py
▼ python
conv_xyz.py
opendf_test.cpp
select_init.py
▼ src
▼ core
▼ include
► kids
► utils
array_eigen.h
array_macro.h	Utils for manipulation of array
array_mkl.h
array_utils.h
array_xtensor.h
hdf5_utils.h
io_utils.h
la_utils.h	Linear algebra for array
mpi_utils.h
nad_utils.h	Utils for non-adiabatic dynamics
sparse_utils.h
chem.h	Provide databases in chemistry
concat.h
Context.h	Declaration of the Context class
DataSet.h	Declaration of the DataSet class and related classes
debug_utils.h	Provide utils for debugging the code
doxygen_template.h	This is a template file with using doxygen
Einsum.h	This file provides einsum operation
Exception.h	Provide Exception structs
Expression.h	This file provide expression & parser
fmt.h	Utils for formating
hash_fnv1a.h
IntrinsicRules.h
Kernel.h	This file provide Kernel class
KernelInfo.h
linalg.h	Provide linalg APIs
linalg_tpl.h	Provide linalg APIs by templating
macro_utils.h
Node.h	Declaration of the Node class used for DataSet
Param.h	Provide struct and interfaces for input parameters
phys.h
Platform.h
Policy.h
Result.h	Provide Result class
RuleEvaluator.h	Provide RuleEvaluator class
RuleSet.h	Provide RuleSet class
Shape.h	Declaration of the Shape class
Solver.h	Provide Solver class
Status.h	Provide Status class
System.h	Provide System class
Tensor.h	A class inherited from Node, representing tensors
Types.h	Definition of types in the project and some utiles for types
Variable.h	This file provide Variable class
VariableDescriptor.h	Provide VariableDescriptor class
vars_list.h	Declaration of variables used in the program
▼ src
DataSet.cpp
Einsum.cpp
Kernel.cpp
linalg.cpp
linalg_1.cpp
Param.cpp
RuleEvaluator.cpp
RuleSet.cpp
VariableDescriptor.cpp
vars_list.cpp
▼ kernels
▼ include
► kids
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
▼ src
Kernel_Conserve.cpp
Kernel_Dump_DataSet.cpp
Kernel_Elec.cpp
Kernel_Elec_NAD.cpp
Kernel_Elec_Switch.cpp
Kernel_GWP.cpp
Kernel_Iter.cpp
Kernel_Iter_Adapt.cpp
Kernel_Load_DataSet.cpp
Kernel_NADForce.cpp
Kernel_Prioritization.cpp
Kernel_Random.cpp
Kernel_Read_Dimensions.cpp
Kernel_Recorder.cpp
Kernel_Representation.cpp
Kernel_Update_c.cpp
Kernel_Update_p.cpp
Kernel_Update_T.cpp
Kernel_Update_x.cpp
▼ kidsrun
Handler.cpp
Handler.h
main.cc
mpi_utils.cpp
mpi_utils.h
▼ models
▼ include
► kids
hamiltonian_data.h
Model_Bath.h
Model_CED.h
Model_ElectronTransfer.h
Model_Hello.h
Model_Interf_MNDO.h
Model_LVCM.h
Model_MD1D.h
Model_NAD1D.h
Model_SystemBath.h
ModelFactory.h
▼ src
Model_Bath.cpp
Model_ElectronTransfer.cpp
Model_Interf_MNDO.cpp
Model_LVCM.cpp
Model_NAD1D.cpp
Model_SystemBath.cpp
ModelFactory.cpp
▼ solvers
▼ include
► kids
SolverFactory.h
▼ src
NAD_Adapt_Kernel.cpp
NAD_AdaptM_Kernel.cpp
NAD_Kernel.cpp
SolverFactory.cpp
▼ wrappers
▼ python
▼ ext
__init__.py
▼ plugin
__init__.py
▼ pybind11
kids_dataset.cc
kids_kernel.cc
kids_param.cc
kids_phys.cc
libpykids_v1.cpp
libpykids_v2.cpp
▼ pykids
__init__.py
▼ swig
swigInputBuilder.py
swigInputConfig.py
setup.py
setup_old1.py