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✨ New SiDB simulator
QuickExact and simulation of atomic defects. (…
…#203) * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🎨 copy enum class to try to solve Windows build issue. * 🎨 tiny change in docu. * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🔥 remove file from git. * ✅ add additional test. * 🐛 add ``recompute_energy`` and test which failed before. * 🎨 change to scoped enumerator. * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🎨 use enum struct. * 🔥 remove ``enum class``due to windows CI issue. * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🎨 replace reference. * ✨ code to generate unique random layouts. * ✨ Temperature-aware simulation can be conducted with ``exgs`` or ``quicksim``. All simulation engines use ``sidb_simulation_result`` now to collect results. * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🎨 rename struct member. * 🎨 activate automatic state count detection. * 🎨 update after review (main change: replace stats_pointer as input for simulators). * 🎨 ClangFormat changes Signed-off-by: ClangFormat <[email protected]> * 🎨 introduce impl_class for quickexact. * 🎨 remove ``const``keyword. * 🎨 add ``const``keyword. * 🎨 split into several smaller functions. * 🎨 rename some functions. * 📝 add docu. * ✨ automatic base number detection can be turned ``on`` and ``off``. * 📝 add more documentation. * 🔥 remove files to shift them to separate PR. * 🎨 change order of ``const``keyword and type. * 📝 add RST. * 📝 add documentation. * 💚 add ``const`` keyword. * 🎨 smaller changes to try to fix test issues. * ✅ small change to avoid Windows issue. * 📝 add documentation. * 📝 add documentation. * 🔀 merge with temperature-branch. * 🎨 small changes here and there (documentation, remove header, etc.) * 🔥 remove additional function. * 🎨 reformat code. * 🎨 add equal sign. * 🎨 clang-tidy suggestions. * 🎨 fix a few typos. * 🎨 renaming and put ``stats`` as last. * 🎨 implement Marcel's first comments. * 🎨 add enum classes to make use of functions friendlier. * 🎨 add an enum class for both exhaustive simulators. * 🔥 remove ``this``. * 🎨 only one enum class in enum_class_exhaustive_algorithm.hpp * 🎨 simulation_result is added as an attribute. * 🎨 replace keyword ``set`` by ``assign`` to be consistent. * 🎨 take order of member function from the ``pyml`` branch. * ✨ add the equality and inequality operator. * ✅ add test for the equality and inequality operator. * 🎨 use ``sidb_surface`` to store defects. * 🎨 add test. * 🎨 reformat code. * 🐛 correct wrong unit test. * 🎨 change unit test. * ✨ added avoidance distance simulation. * ✨ bounding box for siqad layout. * ✨ function to determine the defect influence distance. * 🎨 more defect places added. * 🎨 sort SiDBs in the charge distribution surface at the initialization. * 🎨 add parameter struct. * ✅ add tests for the defect_influence_distance function. * 🎨 add a new type. * 🐛 add WithinAbs in unit test. * 🐛 delete Check for negative indices. * 🐛 minor bug fix. * 🐛 add previously deleted cells to the layout. * ✨ Multithreading for defect avoidance simulation. * 🎨 add lambda caption. * 🔀 merge ``main``. The unit library is new. * 🎨 adapting code for the unit library. * 🎨 adapt SiDB defects to the unit library. * 🎨 adapt SiDB defects to the unit library. * 🎨 implement the unit library to code. * 🎨 integrate unit library. * 🎨 all unit tests run successfully. * 🎨 small changes, trying to improve performance. * ➖ Remove ``unit`` library due to increasing simulation runtimes. * 🎨 implement Marcel's suggestions. * ✅ add a few more tests. * ✅ remove ``unit library``. * 📝 more documentation (add physical unit information). * 📝 add docu. * ✅ All tests run successfully. * 🐛 add time_to_solution unit test again, issue caused by GitHub merge conflict. * 🎨 remove redundant unit test case. * 🎨 change ``CHECK`` for defect position due to symmetry. * 🐛 wrong cell where ``get_local_potential`` is applied. * 🎨 reformat code. * ✅ add unit test. * 🎨 Structural improvements and consistency fixes for the code of the QuickExact algorithm * 🎨 rename function. * 🔀 merge ``main``. * ✅ add more unit tests. * ✅ add more unit tests to cover different physical parameters. * 🎨 delete redundant line of code. * ✨ function to determine whether positive charges can occur in a given SiDB layout for given physical parameters. * 🎨 add pre-mature break. * ✨ finish function to detect if SiDBs can be positively charged. * 🎨 more generic description. * 🎨 code cleaning. * 🎨 code cleanup. * 🎨 code cleanup. * ✅ correct bug in test. * 🎨 if statement over several statements. * 🐛 Wrong cell whose local potential is accessed. * 🐛 remove runtime test due to issues in debug mode. * 🎨 delete cout. * 🐛 make sure that defects, if any, are included in the simulation results layouts. * ✅ add test to check if defects are included in the simulation result layout. * ✅ Gray code iterator to iterate from a start integer to an end integer in Gray code order. * 📝 add docu. * 🎨 add postfix increment operator. * 🎨 remove ambiguous operators. * 🎨 use ``QuickExact`` for temperature simulation. * 🎨 implement suggestions and add docu. * 🎨 implement suggestions. * 🎨 use pair for additional_scanning_area. * 🎨 remove unnecessary ``if`` statement and add tests. * 🎨 add atomic header. * 🎨 remove atomic again. * 🎨 wrong data type. * 📝 add more docu. * ✅ add test. * ✅ implement ``clang-tidy``. * ✅ add more test. * 🎨 implement ``clang-tidy`` suggestions. * ✅ add more tests. * 🐛 wrong function call. * ✅ add more tests. * ✅ add more test. * 🎨 add test and fix inconsistency. * 🎨 split ``maximal_defect_influence_distance`` into smaller functions and use a separate class. * 📝 add ``maximal_defect_influence_distance`` to docu. * 🎨 replace wrong function and add unit test. * 📝 update docu. * 🎨 reformat code, simplify code, and add more unit tests. * 🎨 solve ``bitwise '|' with boolean operands`` warning. * 🎨 compare float with ``CHECK_THAT``. * 🎨 fix inconsistency. * 🎨 fix inconsistency and add test. * 🎨 fix inconsistency. * 🎨 reformat code. * 🎨 reformat code. * 🎨 implement Marcel's suggestions. * 🎨 implement Marcel's suggestions and reformat code. * 🎨 implement Marcel's suggestions and reformat code. * 🎨 implement Marcel's suggestions and reformat code. * 🎨 implement Marcel's suggestions and reformat code. * 🎨 rename ``maximal`` to ``maximum``. * 📝 rename ``maximal`` to ``maximum``. * 🎨 implement ``clang-tidy``suggestions and use ``std::for_each`` instead of ``threads``. * 🎨 reformat code. * 🎨 implement cppcheck warnings. * 🎨 implement Marcel's suggestions. * 🎨 update sidb_simulation.rst * 🎨 use template again. * 🎨 implement clang-tidy suggestions. * 🎨 remove ``std::move`` * 🎨 implement ``clang-tidy`` suggestions. * 🎨 Implement ``clang-tidy`` suggestions. --------- Signed-off-by: ClangFormat <[email protected]> Co-authored-by: ClangFormat <[email protected]> Co-authored-by: Marcel Walter <[email protected]>
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Sep 12, 2023
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