| Revert "Fix NVC++ crash" |
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2 months ago
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| Revert "Second attempt at fixing NVCC++ crash" |
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2 months ago
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| Fix make_ndx splitres behavior |
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2 months ago
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| DSSP: add hydrogen atoms recognition from pdb files |
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2 months ago
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| Avoided std::vector copy constructors with initalizer lists |
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2 months ago
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| CI: Disable CCache for NVC++ |
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2 months ago
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| NBLIB now detects the LJ combination rule |
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3 months ago
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| Add overloads and tests to matrix IO |
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3 months ago
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| Avoid using NBNxM kernel enums when possible |
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3 months ago
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| Fix sign error in manual equation |
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3 months ago
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| Prefer newer style compiler flags for AVX512 and icpx |
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3 months ago
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| Extract packed float implementation from SYCL only build |
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3 months ago
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| Second attempt at fixing NVCC++ crash |
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3 months ago
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| Fix NVC++ crash |
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3 months ago
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| Allow OpenMP in CUDA files with newer clang |
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3 months ago
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| Merge branch release-2023 into release-2024 |
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3 months ago
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| Reorganize NBNxM boundingbox include files |
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3 months ago
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| Avoid skipping NBNxM kernel tests with LJ combination rules |
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3 months ago
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| Remove unused DeviceContext fields |
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3 months ago
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| Document GPU kernel logical and optimization |
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3 months ago
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| Static cast on bool to int conversion |
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3 months ago
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| Avoid FPE in libxdrf |
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3 months ago
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| Langevin (SD) integrator tests |
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3 months ago
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| Add support for nvc++ compiler |
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3 months ago
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| Start adding HIP specific methods to gpu_utils |
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3 months ago
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| Improve error messages from editconf and trjconv |
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3 months ago
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| Remove most for loops in simd_kernel_inner.h |
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3 months ago
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| cppcheck: constVariablePointer fix |
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3 months ago
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| Add rocprim as required package for HIP build |
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3 months ago
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| Use SIMD kernel macro on top of GMX_SIMD |
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3 months ago
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