 abm_integrators | This module contains the different ADAMS-BASHFORTH-MOULTON integrators |
 addresses | This module collects the routines necessary for the indexing of the one-body and two-body matrix elements as well as the coefficients and configurations |
 addresses_fermions | This 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 |
 analysis_core | This Module contains the main routines for input reading and driving the analysis of the MCTDHB output |
 analysis_input_variables | This module contains the variables that constitute the input of the analysis program. The input variables are grouped in different namelists |
 analysis_routines_2d | This module collects the analysis routines dedicated to two-dimensional R-MCTDHB simulations |
 analysis_routines_manybody | This module collects analysis routines for multiconfigurational wavefunctions that have a many-body character |
 analysis_routines_onebody | This module contains the analysis routines controlled by the ONE_body namelist in the input. They compute one-body quantities |
 analysis_routines_twobody | This module collects the routines for the analysis of two-body quantities in R-MCTDHB simulations |
 anyons | |
 array_interfaces | This 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 |
 auxiliary_analysis_routines | This 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 |
 auxiliary_fftroutines | This module contains all routines using FFT to calculate colocations, k-space representations, derivatives or gradients |
 auxiliary_routines | |
 bulirsch_stoer | This module contains the Bulirsch-Stoer Integrator routines |
 cavitybec | |
 ci_decomposition | Module that collects the variables necessary for the new decomposition of the CI vector |
 ci_production_parameters | CI_Production_Parameters contains the arrays necessary to manage and form the mapping and readdressing scheme in PRA 81, 022124 |
  mapping_type | |
  operator_type | Define Operator_Type, an array of Mapping_Types of the size of the number of non-zero prefactors |
 ci_production_parameters_fermions | |
  mapping_type | |
  operator_type | Define Operator_Type, an array of Mapping_Types of the size of the number of non-zero prefactors |
 coefficients_allocatables | |
 coefficients_parallelization_parameters | Coefficients_Parallelization_Parameters collects the numbers necessary to organize the parallelization of the orbital equations of motion |
 coefficients_parameters | Coefficient Parameters contains the numbers necessary for dealing with the coefficients (their number Nconf, Binomial coefficients, and the particle number) |
 combinatorial_algorithms | This 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 |
 crab_parameters | This module collects the parameters necessary for the CRAB optimal control. Details of CRAB are given in http://arxiv.org/pdf/1103.0855v2.pdf |
 dav_integrators | Module for the davidson integrators |
 diagonalize | Diagonalization routines needed for the main program |
 dvr_initialization | DVR Initialization routines mostly from the Heidelberg MCTDH package |
 dvr_parameters | DVR_Parameters contains and allocates the arrays necessary in dealing with the DVR and the kinetic energy in the DVR |
 f1dim_mod | |
 fft_laboratory | This module collects all FFT routines necessary to compute momentum space representations of orbitals or to apply kinetic energy operators |
 function_library | This module collects useful functions and vector routines |
 global_parameters | Global_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 |
 hamiltonianaction_coefficients | This 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 |
 input_namelists | |
 input_output | Routines handling the input and output of data of the main MCTDHB program are collected in this module |
 integration | This module contains the Integration wrappers that call the appropriate chosen integration routine to integrate the orbital or the coefficients equations of motion |
 interaction_parameters | Interaction_Parameters contains input variables related to the interparticle interaction and DVR and organizes the necessary allocatable arrays |
 kineticenergyaction | This module contains all routines that do the FFT collocation or which evaluate the action of the kinetic energy or the total angular momentum operator |
 localinteractionpotential | This 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 |
 master_slave_parallelization | In this module the Master and Slave routines which are called by the main program are stored |
 matrix_elements | Matrix_Elements contains and the matrix elements and allocates the necessary arrays |
 mctdhx | |
 newgammacrab | |
 nr | |
  brent | |
   dbrent | |
    dfpmin | |
     Functional_FCRAB_Minimization | |
     linmin | |
     mnbrak | |
      lnsrch | |
 nrtype | |
  sprs2_dp | |
  sprs2_sp | |
 nrutil | |
  arth | |
  assert | |
  assert_eq | |
  cumsum | |
  diagadd | |
  diagmult | |
  geop | |
  get_diag | |
  outerdiff | |
  outerprod | |
  poly | |
  poly_term | |
  put_diag | |
  scatter_add | |
  scatter_max | |
  swap | |
 onebody_mapconstruction_fermions | |
 optimalcontrol | This Module collects the routines to perform the optimal control run |
 orbital_equationofmotion | This module contains the routines needed for the evaluation of the orbitals equations of motion |
 orbital_parallelization_parameters | Orbital_Parallelization_Parameters collects the numbers necessary to organize the parallelization of the orbital equations of motion |
 random | |
 recursive_1body_mapconstruction | This module is used to recursively construct the mapping for one-body operators |
 recursive_2body_mapconstruction | This module contains the routines that recursively construct the two-body part of the mapping |
 runge_kutta | This module contains the different Runge Kutta wrappers |
 sil_integrators | In this module the Short Iterative Lanczos routines are collected |
 stiff_integrator | This module contains the Integration routines for the case of stiff orbital EOM |
 twobody_mapconstruction_fermions | Module contains the routines necessary for the construction of two-fermion operator mapping |