Project ID: plumID:19.000
Stderr for source: sodium/plumed-metad.dat
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WARNING: using a legacy ActionRegister.h include path, please use <<#include "core/ActionRegister.h">>
DebyeStructureFactor.3uYV91.cpp: In static member function ‘static void PLMD::colvar::DebyeStructureFactor::registerKeywords(PLMD::Keywords&)’:
DebyeStructureFactor.3uYV91.cpp:138:26: warning: ‘void PLMD::Keywords::addOutputComponent(const std::string&, const std::string&, const std::string&)’ is deprecated: Use addOutputComponent with four argument and specify valid types for value from scalar/vector/matrix/grid [-Wdeprecated-declarations]
138 | keys.addOutputComponent("ds","default","the instantaneous Debye Structure Factor at a given frequency q (or angle 2theta)");
| ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /home/runner/opt/include/plumed_master/colvar/../core/Action.h:27,
from /home/runner/opt/include/plumed_master/colvar/../core/ActionAtomistic.h:25,
from /home/runner/opt/include/plumed_master/colvar/../core/Colvar.h:25,
from /home/runner/opt/include/plumed_master/colvar/Colvar.h:24,
from DebyeStructureFactor.3uYV91.cpp:22:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Keywords.h:256:8: note: declared here
256 | void addOutputComponent( const std::string& name, const std::string& key, const std::string& descr );
| ^~~~~~~~~~~~~~~~~~
DebyeStructureFactor.3uYV91.cpp: In constructor ‘PLMD::colvar::DebyeStructureFactor::DebyeStructureFactor(const PLMD::ActionOptions&)’:
DebyeStructureFactor.3uYV91.cpp:287:41: warning: ‘int PLMD::PlumedMain::DeprecatedAtoms::getNatoms() const’ is deprecated [-Wdeprecated-declarations]
287 | NumAtom_=plumed.getAtoms().getNatoms();
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
In file included from DebyeStructureFactor.3uYV91.cpp:24:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:106:9: note: declared here
106 | int getNatoms() const ;
| ^~~~~~~~~
DebyeStructureFactor.3uYV91.cpp:341:108: warning: ‘int PLMD::PlumedMain::DeprecatedAtoms::getNatoms() const’ is deprecated [-Wdeprecated-declarations]
341 | log.printf(" over a total of N_tot=%d, considering a number of atoms N=%d\n",plumed.getAtoms().getNatoms(),NumAtom_);
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/home/runner/opt/include/plumed_master/core/PlumedMain.h:106:9: note: declared here
106 | int getNatoms() const ;
| ^~~~~~~~~
DebyeStructureFactor.3uYV91.cpp: In member function ‘virtual void PLMD::colvar::DebyeStructureFactor::calculate()’:
DebyeStructureFactor.3uYV91.cpp:489:25: warning: ‘base_cos’ may be used uninitialized [-Wmaybe-uninitialized]
489 | cosQR=base_cos*prev_cos-base_sin*prev_sin;
| ~~~~~~~~^~~~~~~~~
DebyeStructureFactor.3uYV91.cpp:471:14: note: ‘base_cos’ was declared here
471 | double base_cos; //this throws a warning, but is correct (and faster)
| ^~~~~~~~
DebyeStructureFactor.3uYV91.cpp:489:43: warning: ‘base_sin’ may be used uninitialized [-Wmaybe-uninitialized]
489 | cosQR=base_cos*prev_cos-base_sin*prev_sin;
| ~~~~~~~~^~~~~~~~~
DebyeStructureFactor.3uYV91.cpp:472:14: note: ‘base_sin’ was declared here
472 | double base_sin;
| ^~~~~~~~
DebyeStructureFactor.3uYV91.cpp:489:25: warning: ‘prev_cos’ may be used uninitialized [-Wmaybe-uninitialized]
489 | cosQR=base_cos*prev_cos-base_sin*prev_sin;
| ~~~~~~~~^~~~~~~~~
DebyeStructureFactor.3uYV91.cpp:473:14: note: ‘prev_cos’ was declared here
473 | double prev_cos;
| ^~~~~~~~
DebyeStructureFactor.3uYV91.cpp:489:43: warning: ‘prev_sin’ may be used uninitialized [-Wmaybe-uninitialized]
489 | cosQR=base_cos*prev_cos-base_sin*prev_sin;
| ~~~~~~~~^~~~~~~~~
DebyeStructureFactor.3uYV91.cpp:474:14: note: ‘prev_sin’ was declared here
474 | double prev_sin;
| ^~~~~~~~