| version 1.1151 | version 1.1152 |
|---|
| |
| #include "packmsg.h" | #include "packmsg.h" |
| #include "CollectionMgr.decl.h" | #include "CollectionMgr.decl.h" |
| #include "ParallelIOMgr.decl.h" | #include "ParallelIOMgr.decl.h" |
| | #include "Vector.h" |
| // BEGIN LA | // BEGIN LA |
| #include "Random.h" | #include "Random.h" |
| // END LA | // END LA |
| |
| DebugM(4, "reloadGridforceGrid(const char*) finished\n" << endi); | DebugM(4, "reloadGridforceGrid(const char*) finished\n" << endi); |
| } | } |
| | |
| | void Node::updateGridScale(char* key, Vector scale) { |
| | DebugM(4, "updateGridScale(char*, Vector) called on node " << CkMyPe() << "\n" << endi); |
| | |
| | int gridnum; |
| | MGridforceParams* mgridParams; |
| | if (key == NULL) { |
| | gridnum = simParameters->mgridforcelist.index_for_key(MGRIDFORCEPARAMS_DEFAULTKEY); |
| | mgridParams = simParameters->mgridforcelist.find_key(MGRIDFORCEPARAMS_DEFAULTKEY); |
| | } else { |
| | gridnum = simParameters->mgridforcelist.index_for_key(key); |
| | mgridParams = simParameters->mgridforcelist.find_key(key); |
| | } |
| | |
| | if (gridnum < 0 || mgridParams == NULL) { |
| | NAMD_die("Node::updateGridScale(char*, Vector): Could not find grid."); |
| | } |
| | |
| | GridforceGrid* grid = molecule->get_gridfrc_grid(gridnum); |
| | if (grid == NULL) { |
| | NAMD_bug("Node::updateGridScale(char*, Vector): grid not found"); |
| | } |
| | CProxy_Node(thisgroup).updateGridScale(gridnum, scale.x, scale.y, scale.z); |
| | |
| | DebugM(4, "updateGridScale(char*, Vector) finished\n" << endi); |
| | } |
| | void Node::updateGridScale(int gridnum, float sx, float sy, float sz) { |
| | if (CmiMyRank()) return; |
| | DebugM(4, "updateGridScale(char*, int, float, float, float) called on node " << CkMyPe() << "\n" << endi); |
| | |
| | GridforceGrid *grid = molecule->get_gridfrc_grid(gridnum); |
| | if (grid == NULL) { |
| | NAMD_bug("Node::updateGridScale(char*, int, float, float, float):grid not found"); |
| | } |
| | |
| | Vector scale(sx,sy,sz); |
| | simParameters->mgridforcelist.at_index(gridnum)->gridforceScale = scale; |
| | grid->set_scale( scale ); |
| | |
| | DebugM(4, "updateGridScale(char*, int, float, float, float) finished\n" << endi); |
| | } |
| | |
| void Node::reloadGridforceGrid(int gridnum) { | void Node::reloadGridforceGrid(int gridnum) { |
| if (CmiMyRank()) return; | if (CmiMyRank()) return; |
| DebugM(4, "reloadGridforceGrid(int) called on node " << CkMyPe() << "\n" << endi); | DebugM(4, "reloadGridforceGrid(int) called on node " << CkMyPe() << "\n" << endi); |