61 |
|
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
62 |
|
break; |
63 |
|
|
64 |
+ |
case RIGIDBODY: |
65 |
+ |
mpiEventContainer.type = mpiRIGIDBODY; |
66 |
+ |
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
67 |
+ |
break; |
68 |
+ |
|
69 |
|
case ATOM: |
70 |
|
mpiEventContainer.type = mpiATOM; |
71 |
|
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
86 |
|
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
87 |
|
break; |
88 |
|
|
89 |
+ |
case MEMBER: |
90 |
+ |
mpiEventContainer.type = mpiMEMBER; |
91 |
+ |
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
92 |
+ |
break; |
93 |
+ |
|
94 |
|
case ZCONSTRAINT: |
95 |
|
mpiEventContainer.type = mpiZCONSTRAINT; |
96 |
|
mpiEventContainer.i1 = the_event->evt.blk_index; // pack block index into first int |
120 |
|
mpiEventContainer.d1 = the_event->evt.cnstr; // pack constraint coord into d |
121 |
|
break; |
122 |
|
|
123 |
< |
case MEMBER: |
124 |
< |
mpiEventContainer.type = mpiMEMBER; |
125 |
< |
mpiEventContainer.i1 = the_event->evt.mbr.a ; // pack member ints into i |
126 |
< |
mpiEventContainer.i2 = the_event->evt.mbr.b; |
127 |
< |
mpiEventContainer.i3 = the_event->evt.mbr.c; |
128 |
< |
mpiEventContainer.i4 = the_event->evt.mbr.d; |
123 |
> |
case MEMBERS: |
124 |
> |
mpiEventContainer.type = mpiMEMBERS; |
125 |
> |
mpiEventContainer.i1 = the_event->evt.mbrs.a ; // pack member ints into i |
126 |
> |
mpiEventContainer.i2 = the_event->evt.mbrs.b; |
127 |
> |
mpiEventContainer.i3 = the_event->evt.mbrs.c; |
128 |
> |
mpiEventContainer.i4 = the_event->evt.mbrs.d; |
129 |
|
break; |
130 |
|
|
131 |
|
case ASSIGNMENT: |
191 |
|
" COMPONENT %d\n" |
192 |
|
" POSITION %d\n" |
193 |
|
" ASSIGNMENT %d\n" |
194 |
< |
" MEMBER %d\n" |
194 |
> |
" MEMBERS %d\n" |
195 |
|
" CONSTRAINT %d\n" |
196 |
|
" ORIENTATION %d\n" |
197 |
|
" ZCONSTRAINT %d\n" |
198 |
+ |
" RIGIDBODY %d\n" |
199 |
+ |
" MEMBER %d\n" |
200 |
|
" BLOCK_END %d\n" |
201 |
|
"\n", |
202 |
|
worldRank, |
203 |
|
MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, |
204 |
< |
POSITION, ASSIGNMENT, MEMBER, CONSTRAINT, ORIENTATION, |
205 |
< |
ZCONSTRAINT, BLOCK_END ); |
204 |
> |
POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, |
205 |
> |
ZCONSTRAINT, RIGIDBODY, MEMBER, BLOCK_END ); |
206 |
|
#endif |
207 |
|
|
208 |
|
MPI_Bcast(&mpiContinue,1,MPI_INT,0,MPI_COMM_WORLD); |
233 |
|
the_event.event_type = MOLECULE; |
234 |
|
the_event.evt.blk_index = mpiEventContainer.i1; |
235 |
|
break; |
236 |
+ |
|
237 |
+ |
case mpiRIGIDBODY: |
238 |
+ |
the_event.event_type = RIGIDBODY; |
239 |
+ |
the_event.evt.blk_index = mpiEventContainer.i1; |
240 |
+ |
break; |
241 |
|
|
242 |
|
case mpiATOM: |
243 |
|
the_event.event_type = ATOM; |
259 |
|
the_event.evt.blk_index = mpiEventContainer.i1; |
260 |
|
break; |
261 |
|
|
262 |
+ |
case mpiMEMBER: |
263 |
+ |
the_event.event_type = MEMBER; |
264 |
+ |
the_event.evt.blk_index = mpiEventContainer.i1; |
265 |
+ |
break; |
266 |
+ |
|
267 |
|
case mpiZCONSTRAINT: |
268 |
|
the_event.event_type = ZCONSTRAINT; |
269 |
|
the_event.evt.blk_index = mpiEventContainer.i1; |
294 |
|
the_event.evt.cnstr = mpiEventContainer.d1; |
295 |
|
break; |
296 |
|
|
297 |
< |
case mpiMEMBER: |
298 |
< |
the_event.event_type = MEMBER; |
299 |
< |
the_event.evt.mbr.a = mpiEventContainer.i1; |
300 |
< |
the_event.evt.mbr.b = mpiEventContainer.i2; |
301 |
< |
the_event.evt.mbr.c = mpiEventContainer.i3; |
302 |
< |
the_event.evt.mbr.d = mpiEventContainer.i4; |
297 |
> |
case mpiMEMBERS: |
298 |
> |
the_event.event_type = MEMBERS; |
299 |
> |
the_event.evt.mbrs.a = mpiEventContainer.i1; |
300 |
> |
the_event.evt.mbrs.b = mpiEventContainer.i2; |
301 |
> |
the_event.evt.mbrs.c = mpiEventContainer.i3; |
302 |
> |
the_event.evt.mbrs.d = mpiEventContainer.i4; |
303 |
|
break; |
304 |
|
|
305 |
|
case mpiASSIGNMENT_s: |