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ASAP_VERSION_3_13_4
Version 3.13.4 =============== * Fix installation if numpy was not preinstalled (e.g. in pristine venv). * Remove unused argument causing ASE Trajectory to crash (ASE master branch).
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ASAP_VERSION_3_13_3
Version 3.13.3 =============== * Bug fix: Would crash with more than 4 billion atoms. * Bug fix: Intel OneAPI compilers would optimize a dubious construct incorrectly (fortunately caught by assert statement). * As ASE now requires Python 3.8 or newer, so does Asap. Outdated constructions updated with ``pyupgrade``. * Fix test OpenKIM_AllModels so it skips tests of potentials that are broken (or in a few cases incompatible with this test).
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ASAP_VERSION_3_13_2 Release: Version 3.13.2
Releasing version 3.13.2 * Documentation updates. * Bug fix: Version 3.13.1 did not compile with OpenKIM support when installed with pip. * Allow for parallel simulations with more than 2\ :sup:`31` (2 billion) atoms, as long as there are less than 2\ :sup:`32` on any single core. Minor changes: * Silence compiler warnings, fix TAB/indentation in a few source files.
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ASAP_VERSION_3_13_1
Releasing version 3.13.1 Major changes: * Update build system from distutils to setuptools. * Moved documentation from MoinMoin wiki to sphinx (in the :git:`~docs` folder), hosted at https://asap3.readthedocs.io. Minor changes: * Tiny change to accommodate newer NumPy: ``numpy.float`` is deprecated.
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ASAP_VERSION_3_12_3 Release: ASAP_VERSION_3_12_3
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ASAP_VERSION_3_11_10 Release: ASAP_VERSION_3_11_10
* Update to handle OpenKIM's kim-api 2.1.2 (only the test suite was affected). * Handle that massively parallel simulations may result in cores with no atoms (hopefully only rarely, as this hurts performance). * Allow test suite to run on four cores as well as two. * Small adaptiation to ASE 3.18.0.
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ASAP_VERSION_3_11_4 Release: ASAP_VERSION_3_11_4
Version 3.11.4 released for reference by the OpenKIM project.