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aa-sycl-pme-untie-group-size
31b9d115
·
Changes based on review feedback
·
Dec 15, 2021
aa-enable-gpu-fft-with-mkl
fdc0ed8b
·
Enable GPU FFT with SYCL DPC++ and MKL
·
Dec 15, 2021
ejj-remove-dead-ana
bca3141f
·
more header work
·
Dec 15, 2021
mja-move-contributors-list
3a1c2e71
·
Apply 2 suggestion(s) to 1 file(s)
·
Dec 15, 2021
ejj-remove-symtab-hydro
28d4e7b9
·
Remove symtab from add_h
·
Dec 14, 2021
mja-rename-cuda-aware-mpi-support
a694e697
·
Clang format and more improvements
·
Dec 14, 2021
4204-assess-performance-and-verify-a64fx-compiler-recommendations
a52f4be5
·
Fix DD memory leaks
·
Dec 14, 2021
mja-update-contributors-list
a534fc27
·
Move Justin Lemkul
·
Dec 14, 2021
mja-4240-continuations-with-non-isotropic-pressure-coupling
ce0ec593
·
Add more tests for exact continuation
·
Dec 13, 2021
2022-awhsymm-awhcorrblocks
1f5fdcc5
·
Doubled the number of AWH correlation blocks.
·
Dec 13, 2021
mja-pmecoordinaterecievergpu-does-spread
e7219b10
·
Express mapping differently
·
Dec 09, 2021
dssp-native
28415348
·
Add tests for dssp
·
Dec 09, 2021
sc-adapt-input-checks
ab507fa6
·
Adapt internal consistency checks to gapsys softcore.
·
Dec 07, 2021
gg_pme_decom_renaming_variable
54bbf04e
·
Rename variable to reflect its true meaning
·
Dec 06, 2021
aa-add-3846-workarounds-for-nightly-jobs
299fdff5
·
Add workarounds for #3846 to SYCL nightly runs
·
Dec 02, 2021
ejj-remove-sortable-nnb
17238179
·
add strong type and use in tuple
·
Dec 02, 2021
cherry-pick-awh-input-fix
e5185499
·
Increase allowed range for AWH user PMF reading
·
Dec 02, 2021
aa-4309
deae5daf
·
Undo the behavior change introduced in
977d0e55
·
Dec 01, 2021
sz_do_force_fixes
a9c4609b
·
Fix logic bug in do_force()
·
Dec 01, 2021
aa-fix-check-source-20211201
74b5a587
·
Fix Doxygen warnings
·
Dec 01, 2021
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