MCTDH-X  v2.22
 All Classes Files Functions Variables Pages
Data Types List
Here are the data types with brief descriptions:
[detail level 123456]
oCabm_integratorsThis module contains the different ADAMS-BASHFORTH-MOULTON integrators
oCaddressesThis module collects the routines necessary for the indexing of the one-body and two-body matrix elements as well as the coefficients and configurations
oCaddresses_fermionsThis module collects the routines necessary for the indexing of the one-body and two-body matrix elements as well as the coefficients and configurations of indistinguishable fermions
oCanalysis_coreThis Module contains the main routines for input reading and driving the analysis of the MCTDHB output
oCanalysis_input_variablesThis module contains the variables that constitute the input of the analysis program. The input variables are grouped in different namelists
oCanalysis_routines_2dThis module collects the analysis routines dedicated to two-dimensional R-MCTDHB simulations
oCanalysis_routines_manybodyThis module collects analysis routines for multiconfigurational wavefunctions that have a many-body character
oCanalysis_routines_onebodyThis module contains the analysis routines controlled by the ONE_body namelist in the input. They compute one-body quantities
oCanalysis_routines_twobodyThis module collects the routines for the analysis of two-body quantities in R-MCTDHB simulations
oCanyons
oCarray_interfacesThis module collects several routines to convert arrays (of orbitals) from one-dimensional and vice versa. This is needed for MPI communication and the integration routines of spino
oCauxiliary_analysis_routinesThis Module collects auxiliary routines that perform transforms on the one-body and two-body matrix-elements or the coefficients, the orbitals, or Routines that get Filenames
oCauxiliary_fftroutinesThis module contains all routines using FFT to calculate colocations, k-space representations, derivatives or gradients
oCauxiliary_routines
oCbulirsch_stoerThis module contains the Bulirsch-Stoer Integrator routines
oCcavitybec
oCci_decompositionModule that collects the variables necessary for the new decomposition of the CI vector
oCci_production_parametersCI_Production_Parameters contains the arrays necessary to manage and form the mapping and readdressing scheme in PRA 81, 022124
|oCmapping_type
|\Coperator_typeDefine Operator_Type, an array of Mapping_Types of the size of the number of non-zero prefactors
oCci_production_parameters_fermions
|oCmapping_type
|\Coperator_typeDefine Operator_Type, an array of Mapping_Types of the size of the number of non-zero prefactors
oCcoefficients_allocatables
oCcoefficients_parallelization_parametersCoefficients_Parallelization_Parameters collects the numbers necessary to organize the parallelization of the orbital equations of motion
oCcoefficients_parametersCoefficient Parameters contains the numbers necessary for dealing with the coefficients (their number Nconf, Binomial coefficients, and the particle number)
oCcombinatorial_algorithmsThis module contains algorithms that are useful for the evaluation of combinatorial formulas, such as e.g. multinomial expansions. Where indicated by the header, they are written by John Burkardt
oCcrab_parametersThis module collects the parameters necessary for the CRAB optimal control. Details of CRAB are given in http://arxiv.org/pdf/1103.0855v2.pdf
oCdav_integratorsModule for the davidson integrators
oCdiagonalizeDiagonalization routines needed for the main program
oCdvr_initializationDVR Initialization routines mostly from the Heidelberg MCTDH package
oCdvr_parametersDVR_Parameters contains and allocates the arrays necessary in dealing with the DVR and the kinetic energy in the DVR
oCf1dim_mod
oCfft_laboratoryThis module collects all FFT routines necessary to compute momentum space representations of orbitals or to apply kinetic energy operators
oCfunction_libraryThis module collects useful functions and vector routines
oCglobal_parametersGlobal_Parameters collects some numbers which are useful in almost all of the program's routines. In this module, almost all variables are determined from the input file
oChamiltonianaction_coefficientsThis module contains all the subroutines that evaluate the right-hand-sides of the coefficients' equations of motion. These routines are mostly called by the various integrators of the coefficients' equ. of motion
oCinput_namelists
oCinput_outputRoutines handling the input and output of data of the main MCTDHB program are collected in this module
oCintegrationThis module contains the Integration wrappers that call the appropriate chosen integration routine to integrate the orbital or the coefficients equations of motion
oCinteraction_parametersInteraction_Parameters contains input variables related to the interparticle interaction and DVR and organizes the necessary allocatable arrays
oCkineticenergyactionThis module contains all routines that do the FFT collocation or which evaluate the action of the kinetic energy or the total angular momentum operator
oClocalinteractionpotentialThis module collects the routines needed for the evaluation of the local interaction potentials W_{sl}(r,r') in the right-hand-sides of the orbital equations of motion
oCmaster_slave_parallelizationIn this module the Master and Slave routines which are called by the main program are stored
oCmatrix_elementsMatrix_Elements contains and the matrix elements and allocates the necessary arrays
oCmctdhx
oCnewgammacrab
oCnr
|\Cbrent
| \Cdbrent
|  \Cdfpmin
|   oCFunctional_FCRAB_Minimization
|   oClinmin
|   \Cmnbrak
|    \Clnsrch
oCnrtype
|oCsprs2_dp
|\Csprs2_sp
oCnrutil
|oCarth
|oCassert
|oCassert_eq
|oCcumsum
|oCdiagadd
|oCdiagmult
|oCgeop
|oCget_diag
|oCouterdiff
|oCouterprod
|oCpoly
|oCpoly_term
|oCput_diag
|oCscatter_add
|oCscatter_max
|\Cswap
oConebody_mapconstruction_fermions
oCoptimalcontrolThis Module collects the routines to perform the optimal control run
oCorbital_equationofmotionThis module contains the routines needed for the evaluation of the orbitals equations of motion
oCorbital_parallelization_parametersOrbital_Parallelization_Parameters collects the numbers necessary to organize the parallelization of the orbital equations of motion
oCrandom
oCrecursive_1body_mapconstructionThis module is used to recursively construct the mapping for one-body operators
oCrecursive_2body_mapconstructionThis module contains the routines that recursively construct the two-body part of the mapping
oCrunge_kuttaThis module contains the different Runge Kutta wrappers
oCsil_integratorsIn this module the Short Iterative Lanczos routines are collected
oCstiff_integratorThis module contains the Integration routines for the case of stiff orbital EOM
\Ctwobody_mapconstruction_fermionsModule contains the routines necessary for the construction of two-fermion operator mapping