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4027-make-awh-work-again
db5017f0
·
Update reference files
·
Apr 15, 2021
state_rvecVectors
9eedfb1f
·
Fix t_state initialization issues
·
Apr 15, 2021
mja-decouple-update-groups-from-domdec
b8758d6f
·
Apply 1 suggestion(s) to 1 file(s)
·
Apr 15, 2021
sz_SYCL-nbnxm-local-mem-reduction
7a638667
·
Implement generic j-reduction in nbnxm SYCL kernels
·
Apr 15, 2021
release-2021
04550aba
·
Ensure coordinates are copied for dipole moment calculation
·
Apr 15, 2021
ptmerz-unify-temperature-pressure-control-connection
75318f61
·
Unify temperature and pressure coupling connection
·
Apr 14, 2021
ptmerz-builder-simulator-data
123b4989
·
Clarify builder-time data, introduce simulation-time data
·
Apr 14, 2021
ptmerz-introduce-scaling-propagators
4b9d6e00
·
Adapt to new wallcycle handling
·
Apr 14, 2021
master
default
protected
b8602051
·
Use host buffer instead of host accessors in SYCL LeapFrog
·
Apr 14, 2021
cuda_aware_pme_pp_comm
a84b77cd
·
Remove thread-MPI limitation for GPU direct PME-PP communication
·
Apr 14, 2021
add-interface-for-clustering-methods
33d91869
·
Add use of methods to new tool
·
Apr 14, 2021
mja-refactor-devflags
ce750a2e
·
More fixes from feedback
·
Apr 14, 2021
fep-gapsys-softcore
78956cc9
·
Use std::abs instead of fabs.
·
Apr 14, 2021
sycl-scheduling-gpu-resident-loop-nb-only-v2
d60e7108
·
Add doxygen comment, remove misleading normal comment
·
Apr 13, 2021
4022-fix-pme-wording
b10a62aa
·
Fix PME-only ranks disable wording
·
Apr 13, 2021
ptmerz-timestep-offset-strongtypes
ef74e6b0
·
Introduce TimeStep and Offset strong types
·
Apr 12, 2021
ejj-update-simd-header
c1d3e8ae
·
Move SIMD update to own header
·
Apr 08, 2021
fep-simd
93e1babf
·
Use local data to avoid omp critical and atomic in for loop.
·
Apr 08, 2021
ejj-localize-vars-nb_free_energy_kernel
b9cb152a
·
Localize params in nb_free_energy_kernel
·
Apr 07, 2021
ejj-constrain_lincs-return
b68491ec
·
Return number of warnings from constrain_lincs
·
Apr 07, 2021
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