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lines changed Original file line number Diff line number Diff line change 46
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- Switched to the latest version of
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[ Autocmake] ( http://autocmake.readthedocs.io/ ) The configuration file is now YAML-based.
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The PyYAML module is thus required.
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- - The standalone ` run_pcm ` executable now uses the API functions instead of the
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- internal headers.
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- The extended diagnostic flags `-Wsuggest-attribute=pure
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-Wsuggest-attribute=const -Wsuggest-attribute=noreturn -Wsuggest-final-types
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-Wsuggest-final-methods -Wsuggest-override -Wuseless-cast
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- The C++11 compatibility CMake macros now check for the availability of the
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` noreturn ` attribute. A workaround macro, accessible _ via_ ` __noreturn ` , has
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been added to the ` Cxx11Workarounds.hpp ` header file.
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+ - ** BREAKING CHANGE** The ouput flushing function must be passed explicitly as
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+ a function pointer to the ` pcmsolver_new ` function during library
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+ initialization.
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+ The function pointer has the signature `typedef void (* HostWriter)(const char
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+ * message)` thus accepting a single argument instead of the previous two.
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### Deprecated
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Original file line number Diff line number Diff line change @@ -11,13 +11,13 @@ PCMSolver
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An API for the Polarizable Continuum Model.
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- [ Project website] ( https://gitlab.com/PCMSolver/pcmsolver )
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- - [ Changelog] ( ../master/ CHANGELOG.md)
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- - [ Documentation] ( http://pcmsolver.readthedocs.org )
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+ - [ Changelog] ( CHANGELOG.md )
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+ - [ Documentation] ( http://pcmsolver.readthedocs.io )
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- [ Build and test history] ( https://travis-ci.org/PCMSolver/pcmsolver/builds )
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- [ Nightly build dashboard] ( https://testboard.org/cdash/index.php?project=PCMSolver )
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- Version 1.1.6 available
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- - Licensed under [ LGPLv3] ( ../master/ LICENSE)
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- - CMake infrastructure managed * via* [ Autocmake] ( http://autocmake.readthedocs.org / )
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+ - Licensed under [ LGPLv3] ( LICENSE )
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+ - CMake infrastructure managed * via* [ Autocmake] ( http://autocmake.readthedocs.io / )
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Primary test environments
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=========================
Original file line number Diff line number Diff line change @@ -65,7 +65,7 @@ int main(int argc, char * argv[]) {
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pcmsolver_out.open (remove_extension (argv[1 ]).erase (0 , 1 ) + " .out" );
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context_.printInfo ();
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- size_t size = context_.getCavitySize ();
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+ PCMSolverIndex size = context_.getCavitySize ();
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// Form vector with electrostatic potential
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// First compute the potential from the classical point multipoles distribution
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