Gromacs
5.1.3
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Structure containing compartment-specific data.
Public Attributes | |
int | nat |
Number of atoms matching the compartment conditions. More... | |
int | nat_old |
Number of atoms before swapping. More... | |
int | nat_req |
Requested number of atoms. More... | |
real | nat_av |
Time-averaged number of atoms matching the compartment conditions. More... | |
int * | nat_past |
Past ion counts for time-averaging. More... | |
int * | ind |
Indices to coll array of atoms. More... | |
real * | dist |
Distance of atom to compartment center. More... | |
int | nalloc |
Allocation size for ind array. More... | |
int | inflow_netto |
Net inflow of ions into this compartment. More... | |
real* swap_compartment::dist |
Distance of atom to compartment center.
int* swap_compartment::ind |
Indices to coll array of atoms.
int swap_compartment::inflow_netto |
Net inflow of ions into this compartment.
int swap_compartment::nalloc |
Allocation size for ind array.
int swap_compartment::nat |
Number of atoms matching the compartment conditions.
real swap_compartment::nat_av |
Time-averaged number of atoms matching the compartment conditions.
int swap_compartment::nat_old |
Number of atoms before swapping.
int* swap_compartment::nat_past |
Past ion counts for time-averaging.
int swap_compartment::nat_req |
Requested number of atoms.