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Commit 40d36108 authored by Giovanni Bussi's avatar Giovanni Bussi
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Added possibility to use replica exchange from fortran

The interface to set replica communicator from fortran was missing.
parent d44539ba
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......@@ -18,7 +18,11 @@ In addition, it is now much easier to contribute new functionality to the code b
- Developer and user documentation
Version 2.0.1 (unpublised yet, check out branch v2.0 on git repository)
For users:
- Several small fixes in documentation and log file
- Added message when "plumed simpled" is used on a non-existing file
For developers:
- Several small fixes in documentation
- Added possibility to setup replica exchange from MD codes in fortran (commands "GREX setMPIFIntercomm" and "GREX setMPIFIntracomm")
*/
......@@ -66,6 +66,13 @@ void GREX::cmd(const string&key,void*val){
CHECK_NOTINIT(initialized,key);
intercomm.Set_comm(val);
plumedMain.multi_sim_comm.Set_comm(val);
}else if(key=="setMPIFIntracomm"){
CHECK_NOTINIT(initialized,key);
intracomm.Set_fcomm(val);
}else if(key=="setMPIFIntercomm"){
CHECK_NOTINIT(initialized,key);
intercomm.Set_fcomm(val);
plumedMain.multi_sim_comm.Set_fcomm(val);
}else if(key=="init"){
CHECK_NOTINIT(initialized,key);
initialized=true;
......
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