Branches

• ptmerz-temperature-annealing

  12ac8c8c · Introduce simulated annealing for modular simulator · Jul 01, 2021
• ptmerz-simulated-tempering

  2f1eb045 · Introduce simulated tempering for modular simulator · Jul 01, 2021
• 4078-backport-to-2020

  692e8066 · Apply reviewer suggestions. · Jun 28, 2021
• use-is_arithmetic_v

  7436a589 · Address a todo · Jun 24, 2021
• add-cuda-cmap-kernel

  01e813f0 · More cleanup · Jun 24, 2021
• use-constexpr-for-wallcycle-debug

  5349b0a1 · Replace preprocessor wit constexpr in wallcycle · Jun 23, 2021
• nbnxm_UnifyGpuLaunchKernelPruneonly

  1606733a · Move c_clSize to a common header in OpenCL, change asserts to GMX_ASSERT · Jun 18, 2021
• state_rvecVectors

  3a44c770 · Make addRVecVector() return const · Jun 16, 2021
• ejj-nblib-nbcalc-impl

  f0c84c14 · Add impl for nblib nonbonded force calculator · Jun 16, 2021
• sycl-nbnxm-raw-ptrs-even-rawwwer

  6c7daf30 · Convert a_ljComb · Jun 14, 2021
• sycl-nbnxm-raw-ptrs

  b92492f0 · Replaced atomic accessors with raw ptrs · Jun 14, 2021
• ejj-nblib-impl-on-dataflow-rework

  a0345663 · Checkout nblib nonbonded force calc impl onto dataflow rework · Jun 13, 2021
• ejj-nblib-rework-nbdataflow

  6559c60a · make copies · Jun 13, 2021
• mei-plugin

  c2ed5c79 · [wip] Fix Python system.launch(). · Jun 13, 2021
• ag_cuda_graphs_prototype

  bb55681c · Added files · Jun 11, 2021
• constraints_MicsChangesToSETTLECUDAKernel

  1c229c95 · Mics changes to SETTLE CUDA kernel · Jun 10, 2021
• ejj-nblib-more-listed-types

  1dadb111 · remove duplicate line · Jun 09, 2021
• mja-introduce-owning-observablesreducer

  339b403b · Use ObservablesReducer for LINCS RMSD computation · Jun 09, 2021
• ejj-nblib-refactor-nbforcecalculator

  3efa64e0 · Add Impl class for nonbonded force calculator · Jun 07, 2021
• ptmerz-trotter

  0a5fa3f6 · Fix memory leaks · Jun 03, 2021