| version 1.1031 | version 1.1032 |
|---|
| |
| typedef float Mass; | typedef float Mass; |
| typedef float Charge; | typedef float Charge; |
| | |
| #ifdef MEM_OPT_VERSION | |
| typedef unsigned short AtomSigID; | |
| typedef unsigned short ExclSigID; | |
| typedef unsigned short VDW_TYPE; | |
| #endif | |
| | |
| typedef double Coordinate; | typedef double Coordinate; |
| | |
| struct Transform | struct Transform |
| |
| | |
| }; | }; |
| | |
| #ifdef MEM_OPT_VERSION | //CompAtomExt is now needed even in normal case |
| | //for changing the packed msg type related to |
| | //ProxyPatch into varsize msg type where |
| | // two types of proxy msgs (originally, the msg |
| | // for the step where atoms migrate (ProxyAllMsg), |
| | // and the msg for normal steps (ProxyDataMsg)) |
| | // are declared as the same class (ProxyDataMsg). |
| | // Note that in normal case, the class is needed |
| | // just for passing the compilation, but not involved |
| | // in the actual force calculation. |
| | // --Chao Mei |
| | |
| | typedef unsigned short AtomSigID; |
| | typedef unsigned short ExclSigID; |
| | typedef unsigned short VDW_TYPE; |
| | |
| struct CompAtomExt { | struct CompAtomExt { |
| AtomSigID sigId; | AtomSigID sigId; |
| ExclSigID exclId; | ExclSigID exclId; |
| |
| } | } |
| | |
| }; | }; |
| #endif | |
| | |
| #ifdef MEM_OPT_VERSION | #ifdef MEM_OPT_VERSION |
| struct FullAtom : CompAtom, CompAtomExt{ | struct FullAtom : CompAtom, CompAtomExt{ |