|
Gromacs
2018.8
|
All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
|
Gromacs
2018.8
|
#include <gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_types.h>
Pair list data.
Public Attributes | |
| int | na_c |
| number of atoms per cluster | |
| int | nsci |
| size of sci, # of i clusters in the list | |
| int | sci_nalloc |
| allocation size of sci | |
| cl_mem | sci |
| list of i-cluster ("super-clusters"). More... | |
| int | ncj4 |
| total # of 4*j clusters | |
| int | cj4_nalloc |
| allocation size of cj4 | |
| cl_mem | cj4 |
| 4*j cluster list, contains j cluster number and index into the i cluster list. More... | |
| int | nimask |
of 4*j clusters * # of warps | |
| int | imask_nalloc |
| allocation size of imask | |
| cl_mem | imask |
| imask for 2 warps for each 4*j cluster group | |
| cl_mem | excl |
| atom interaction bits It contains elements of type nbnxn_excl_t | |
| int | nexcl |
| count for excl | |
| int | excl_nalloc |
| allocation size of excl | |
| bool | haveFreshList |
| true after search, indictes that initial pruning with outer prunning is needed | |
| int | rollingPruningNumParts |
| the number of parts/steps over which one cyle of roling pruning takes places | |
| int | rollingPruningPart |
| the next part to which the roling pruning needs to be applied | |
| cl_mem cl_plist::cj4 |
4*j cluster list, contains j cluster number and index into the i cluster list.
It contains elements of type nbnxn_cj4_t
| cl_mem cl_plist::sci |
list of i-cluster ("super-clusters").
It contains elements of type nbnxn_sci_t
1.8.5