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 |