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use-clang-11-for-linters
8f82419f
·
Add things I forgot
·
Apr 19, 2021
kevinboyd-posres-openmp
0606359d
·
openmp multithreading for position restraints
·
Apr 17, 2021
duplicated-quote
d63cadf5
·
Removed a duplicated quote
·
Apr 17, 2021
sz_use-MPI_Isend-in-PmeForceSenderGpu_
f9563146
·
Use MPI_Isend in PmeForceSenderGpu
·
Apr 16, 2021
ptmerz-local-ke-update
9e790992
·
Allow elements to request local kinetic energy update
·
Apr 15, 2021
ptmerz-builder-simulator-data
123b4989
·
Clarify builder-time data, introduce simulation-time data
·
Apr 14, 2021
fep-gapsys-softcore
78956cc9
·
Use std::abs instead of fabs.
·
Apr 14, 2021
ejj-update-simd-header
c1d3e8ae
·
Move SIMD update to own header
·
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
reimplement-cluster-in-trajectory-analysis
76ec13ec
·
Reimplement gmx cluster in trajectory analysis
·
Apr 01, 2021
fix-possible-bug-in-ebin
7464eb67
·
Remove use of ArrayRef<bool> in ebin
·
Mar 31, 2021
ejj-virial-arrayref
4465d64a
·
Use ArrayRef in calc_vir and remove f_calc_vir
·
Mar 30, 2021
ag_init_coulomb_tab_to_nullptr
b04b3798
·
Fix coloumb_tab uninitialized bug
·
Mar 30, 2021
ddTopIndexCleanup
5bec9ad5
·
Replace t_iatom by int
·
Mar 30, 2021
kevinboyd-highlevel-analysdata-parallel
f68cda87
·
Formatting and copyright fixes
·
Mar 26, 2021
more-array-in-toppush
e39fa425
·
Change some use of vector to array in toppush
·
Mar 26, 2021
ejj-forward-declare-DeviceBuffer
49fbfc1e
·
add missing header
·
Mar 24, 2021
3985-check-for-python-argparse
8d9b323d
·
Change message to status
·
Mar 24, 2021
modernize-update-code-to-use-arrayref
031ac37f
·
Use ArrayRefWthPadding in update code.
·
Mar 22, 2021
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