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# Change Log
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## [ Unreleased]
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+ ## [ v1.1.1] (2016-03-10)
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### Added
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- A runtime check to ensure that all atoms have a nonzero radius.
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API kills program execution if this is the case.
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- An API function to retrieve the areas/weights of the cavity finite elements.
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The values in the returned array are in Bohr^2. Addresses a feature request from @shofener (Issue #13 )
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### Changed
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- Boundary integral operators classes learnt to accept a scaling factor for the diagonal
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elements of the approximate collocation matrices. The change is reflected in the
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Green's funtion classes and in the input parsing. Addresses a feature request from @shofener (Issue #16 )
@@ -16,44 +21,44 @@ the cavity.
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- Different internal handling of conversion factors from Bohr to Angstrom.
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- CMake minimum required version is 2.8.10
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- Atom, Solvent and Sphere are now PODs. The radii and solvent lists are free functions.
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- - ` PCMSOLVER_ERROR ` kills program execution when an error arises but does
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+ - ` PCMSOLVER_ERROR ` kills program execution when an error arises but does
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not use C++ exceptions.
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- ` include ` -s are now specified on a per-directory basis (see programmers' manual
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for a more detailed explanation)
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### Known Issues
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- The new printer in GePolCavity might not work properly when an explicit list
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of spheres is provided in the input.
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- On Ubuntu 12.10, 32 bit the Intel compiler version 2013.1 produces a faulty library.
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It is possibly a bug in the implementation of ` iso_c_binding ` , see Issue #25
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### Removed
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- SurfaceFunction as a class is no longer available. We keep track of surface functions
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at the interface level _ via_ a label-vector map.
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## [ v1.1.0] (2016-02-07)
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### Added
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- Green's function for diffuse interfaces in spherical symmetry
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### Changed
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- CMake minimum required version is 2.8.8 (2016-01-08)
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- Documentation is now served [ here] ( http://pcmsolver.readthedocs.org/ )
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- ## [ v1.0.4] (2015-07-22)
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+ ## v1.0.4 (2015-07-22) [ YANKED ]
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- ## [ v1.0.3] (2015-03-29)
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+ ## v1.0.3 (2015-03-29) [ YANKED ]
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- ## [ v1.0.2] (2015-03-28)
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+ ## v1.0.2 (2015-03-28) [ YANKED ]
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- ## [ v1.0.1] (2015-01-06)
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+ ## v1.0.1 (2015-01-06) [ YANKED ]
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- ## [ 1 .0.0] (2014-09-30)
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+ ## v1 .0.0 (2014-09-30) [ YANKED ]
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- [ Unreleased ] : https://github.com/PCMSolver/pcmsolver/compare/v1.1.0...HEAD
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- [ v1.1.0 ] : https://github.com/PCMSolver/pcmsolver/compare/v1.0.4...v1.1.0
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- [ v1.0.4 ] : https://github.com/PCMSolver/pcmsolver/compare/v1.0.3...v1.0.4
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- [ v1.0.3 ] : https://github.com/PCMSolver/pcmsolver/compare/v1.0.2...v1.0.3
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- [ v1.0.2 ] : https://github.com/PCMSolver/pcmsolver/compare/v1.0.1...v1.0.2
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- [ v1.0.1 ] : https://github.com/PCMSolver/pcmsolver/compare/1.0.0...v1.0.1
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- [ 1.0.0 ] : https://github.com/PCMSolver/pcmsolver/tree/1.0.0
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+ [ Unreleased ] : https://github.com/PCMSolver/pcmsolver/compare/v1.1.1...HEAD
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+ [ v1.1.1 ] : https://github.com/PCMSolver/pcmsolver/compare/v1.1.0...v1.1.1
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+ [ v1.1.0 ] : https://github.com/PCMSolver/pcmsolver/releases/tag/v1.1.0
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