List of set of grid. More...
Public Attributes | |
character(128) | list_conf_fname |
in case of dynamical allocation keep copy of list_name_conf and factor grid, may change More... | |
real(kind=8) | distance_max |
store the maximum over all sogrid More... | |
logical | implicit |
related to the format of list_conformation.dat should belong to the module, because of reload More... | |
integer | max_size_movable_charge |
need to know the maximum size to not reallocate every time should be allocated when reading input, More... | |
integer | max_size_movable_atom |
type(nodeflex), pointer | p_first |
pointer on first and last node of the list More... | |
type(nodeflex), pointer | p_last |
real(kind=4) | frequence |
keep all data for update, minimal in term of memory all same type of proteins have the same frequency because sdamm=> asynchroneous update, add own time_frequence to flexible ( each protein ) and use std_freq_random More... | |
real(kind=4) | std_freq_random |
integer | method_flex |
to deal with the different methods of update, add option for nearest_neighbour More... | |
logical | nearest_ngb |
integer | total_conf |
for setting total number of conformation and the initial nb at the start of the trajectory More... | |
integer | initial_conf |
List of set of grid.
Each group of proteins will point indirectly, by a flexible, to one unique list
real ( kind=8 ) mod_flexibility::list_flex_type::distance_max |
store the maximum over all sogrid
real ( kind=4 ) mod_flexibility::list_flex_type::frequence |
keep all data for update, minimal in term of memory all same type of proteins have the same frequency because sdamm=> asynchroneous update, add own time_frequence to flexible ( each protein ) and use std_freq_random
logical mod_flexibility::list_flex_type::implicit |
related to the format of list_conformation.dat should belong to the module, because of reload
integer mod_flexibility::list_flex_type::initial_conf |
character ( 128 ) mod_flexibility::list_flex_type::list_conf_fname |
in case of dynamical allocation keep copy of list_name_conf and factor grid, may change
integer mod_flexibility::list_flex_type::max_size_movable_atom |
integer mod_flexibility::list_flex_type::max_size_movable_charge |
need to know the maximum size to not reallocate every time should be allocated when reading input,
integer mod_flexibility::list_flex_type::method_flex |
to deal with the different methods of update, add option for nearest_neighbour
logical mod_flexibility::list_flex_type::nearest_ngb |
type ( nodeflex ), pointer mod_flexibility::list_flex_type::p_first |
pointer on first and last node of the list
type ( nodeflex ), pointer mod_flexibility::list_flex_type::p_last |
real ( kind=4 ) mod_flexibility::list_flex_type::std_freq_random |
integer mod_flexibility::list_flex_type::total_conf |
for setting total number of conformation and the initial nb at the start of the trajectory