- 06 Apr, 2026 1 commit
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Peter Eastman authored
* PythonForce can be restricted to a subset of particles * Fix exception with CUDA
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- 12 Nov, 2025 1 commit
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Peter Eastman authored
* Initial implementation of PythonForce * Continuing implementation of PythonForce * Tests for PythonForce * Fix memory leaks * Documentation for PythonForce * Fixed incorrect return type * Fix compilation error on Python older than 3.12 * Handle all dtypes * Optimizations to PythonForce * Optimized getPositions() * Test all platforms * Fix test failures
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- 23 Sep, 2025 1 commit
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Evan Pretti authored
* Replace SimTK-containing file headers * Update file headers for new Tinker reader files added
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- 16 Sep, 2023 1 commit
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Peter Eastman authored
* Implemented CustomCPPForceImpl * Documentation for CustomCPPForceImpl * Attempt at fixing Windows compilation error * Improved documentation
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- 19 Mar, 2015 1 commit
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peastman authored
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- 27 Sep, 2012 1 commit
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Peter Eastman authored
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- 31 Jan, 2012 1 commit
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Peter Eastman authored
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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 17 Apr, 2009 1 commit
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Peter Eastman authored
Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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- 22 Oct, 2008 1 commit
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Peter Eastman authored
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- 25 Apr, 2008 1 commit
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Peter Eastman authored
Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
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- 22 Apr, 2008 1 commit
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Peter Eastman authored
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- 17 Apr, 2008 1 commit
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Peter Eastman authored
Created a test case for StandardMMForceFieldImpl's findExclusions() method. Fixed some bugs that it found. Created a CMake script and configured it for building and running test cases.
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- 16 Apr, 2008 1 commit
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Peter Eastman authored
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