Project ID: plumID:20.024
Stderr for source: Alanine-dipeptide/plumed.dat
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WARNING: using a legacy ActionRegister.h include path, please use <<#include "core/ActionRegister.h">>
WARNING: "core/Atoms.h" does not exist anymore in version >=2.10, you should change your code.
../GAMBES.ITFwim.cpp: In member function ‘virtual void PLMD::bias::GAMBES::prepare()’:
../GAMBES.ITFwim.cpp:224:37: warning: ‘void PLMD::PlumedMain::DeprecatedAtoms::setCollectEnergy(bool) const’ is deprecated [-Wdeprecated-declarations]
224 | plumed.getAtoms().setCollectEnergy(true);
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~
In file included from ../GAMBES.ITFwim.cpp:22:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:111:10: note: declared here
111 | void setCollectEnergy(bool b) const;
| ^~~~~~~~~~~~~~~~
../GAMBES.ITFwim.cpp: In member function ‘virtual void PLMD::bias::GAMBES::calculate()’:
../GAMBES.ITFwim.cpp:230:36: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getKbT() const’ is deprecated: Use Action::getkBT() N.B. this function also reads the TEMP keyword from the input for you. [-Wdeprecated-declarations]
230 | beta = 1/plumed.getAtoms().getKbT();
| ~~~~~~~~~~~~~~~~~~~~~~~~^~
In file included from ../GAMBES.ITFwim.cpp:22:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:105:12: note: declared here
105 | double getKbT() const ;
| ^~~~~~
../GAMBES.ITFwim.cpp:231:63: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getKBoltzmann() const’ is deprecated: Use Action::getKBoltzmann(). [-Wdeprecated-declarations]
231 | if(temp>0.0){ beta = 1/(temp*plumed.getAtoms().getKBoltzmann()) ; }
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
In file included from ../GAMBES.ITFwim.cpp:22:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:103:12: note: declared here
103 | double getKBoltzmann() const ;
| ^~~~~~~~~~~~~
../GAMBES.ITFwim.cpp:250:57: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getEnergy() const’ is deprecated [-Wdeprecated-declarations]
250 | if(iter==0){energy_offset= plumed.getAtoms().getEnergy();}
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
In file included from ../GAMBES.ITFwim.cpp:22:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:113:12: note: declared here
113 | double getEnergy() const ;
| ^~~~~~~~~
../GAMBES.ITFwim.cpp:251:44: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getEnergy() const’ is deprecated [-Wdeprecated-declarations]
251 | double energy=plumed.getAtoms().getEnergy() - energy_offset;
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
In file included from ../GAMBES.ITFwim.cpp:22:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:113:12: note: declared here
113 | double getEnergy() const ;
| ^~~~~~~~~