MDAnalysis/distopia issues and pull requests

#77 - Investigate prefetching.

Issue - State: closed - Opened by hmacdope over 3 years ago

#76 - Add documentation

Issue - State: closed - Opened by hmacdope over 3 years ago - 5 comments

#75 - Clean up API and headers

Issue - State: closed - Opened by hmacdope over 3 years ago

#74 - Add Angle code

Pull Request - State: closed - Opened by hmacdope over 3 years ago - 3 comments

#73 - Vectorised trig.

Issue - State: closed - Opened by hmacdope over 3 years ago - 2 comments

#72 - Add benchmarks

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#71 - Idx Loader

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#70 - Add code coverage build to cmake.

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#69 - Benchmark stream vs store

Issue - State: closed - Opened by hmacdope over 3 years ago - 3 comments

#68 - Improve test coverage for CalcBonds dispatch

Issue - State: closed - Opened by hmacdope over 3 years ago - 3 comments

#67 - Remove ifs from hotpaths using templates or function pointers.

Issue - State: closed - Opened by hmacdope over 3 years ago - 1 comment

#66 - Smarter idx load

Pull Request - State: closed - Opened by richardjgowers over 3 years ago - 2 comments

#65 - Mute failure on accuracy tests

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#64 - clean up merge artifact.

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#63 - started different box types through templates

Pull Request - State: closed - Opened by richardjgowers over 3 years ago - 1 comment

#62 - Allow VectorTriple to handle ScalarT

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#61 - ShuntFirst2Last for __m256d requires AVX2FMA rather than just AVX2

Issue - State: closed - Opened by hmacdope over 3 years ago - 1 comment

#60 - Fix idx loader and remove redundant code paths.

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#59 - Non explicit IDX loader is broken.

Issue - State: closed - Opened by hmacdope over 3 years ago

#58 - WIP: Fast remainder

Pull Request - State: closed - Opened by nbgl almost 4 years ago - 1 comment

#57 - silence gcc warning for ignored attributes on simd type

Pull Request - State: closed - Opened by hmacdope almost 4 years ago

#54 - Add test for CalcBondsOrtho

Pull Request - State: closed - Opened by hmacdope almost 4 years ago - 2 comments

#52 - Add VectorTriple datastructures and tests

Pull Request - State: closed - Opened by hmacdope almost 4 years ago - 3 comments

#50 - Detect cache size

Issue - State: closed - Opened by hmacdope almost 4 years ago - 2 comments

#46 - Simd wrappers and swizzles.

Pull Request - State: closed - Opened by hmacdope almost 4 years ago - 2 comments

#43 - Make actual tests with gtest

Issue - State: closed - Opened by hmacdope almost 4 years ago

#42 - AVX512 is not supported correctly

Issue - State: closed - Opened by hmacdope almost 4 years ago - 1 comment

#41 - Support MSCV /arch flags

Issue - State: closed - Opened by hmacdope almost 4 years ago

#40 - Should we use march=native, mtune=native if the user does not select an ISA

Issue - State: closed - Opened by hmacdope almost 4 years ago - 2 comments

#32 - Timings

Issue - State: closed - Opened by hmacdope almost 4 years ago - 5 comments

#25 - Should we try and detect the number of AVX512 FMA units?

Issue - State: closed - Opened by hmacdope almost 4 years ago

#24 - Periodic boundary implementation breaks triangle inequality

Issue - State: closed - Opened by nbgl almost 4 years ago

#23 - Rsqrt benchmarks

Issue - State: closed - Opened by nbgl almost 4 years ago

#21 - Optimizing vectorized distances

Issue - State: closed - Opened by nbgl about 4 years ago - 9 comments

#19 - Investigate flop accounting for acosf vs atan2 angles/dihedrals

Issue - State: closed - Opened by hmacdope about 4 years ago

#18 - Macromania

Pull Request - State: closed - Opened by richardjgowers about 4 years ago - 2 comments

#6 - distance_array and distance_array_idx

Issue - State: closed - Opened by richardjgowers about 4 years ago

#5 - calc_angles & calc_angles_idx

Issue - State: closed - Opened by richardjgowers about 4 years ago - 3 comments

#4 - Calc_bonds & calc_bonds_idx

Issue - State: closed - Opened by richardjgowers about 4 years ago - 1 comment

#3 - Calc_dihedrals & calc_dihedrals_idx

Issue - State: closed - Opened by richardjgowers about 4 years ago

#2 - self_distance_array & self_distance_array_idx

Issue - State: closed - Opened by richardjgowers about 4 years ago

GitHub / MDAnalysis/distopia issues and pull requests