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97c6b063a7
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:41:04 -04:00 |
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7ffe6aefce
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:37:21 -04:00 |
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e4a9b06320
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Update fix_cmap_kokkos.cpp
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2024-10-28 17:47:57 -04:00 |
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c00700dec7
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cuda sync
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2024-10-28 15:30:14 -04:00 |
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12f0eff7a6
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make group kokkos aware
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2024-10-25 20:06:13 -04:00 |
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ea7fd079ce
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add vcm() and angmom()
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2024-10-25 19:14:20 -04:00 |
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e91b5dce78
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fix typos
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2024-10-25 18:52:50 -04:00 |
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e0c3022ec3
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printf debugging
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2024-10-25 14:55:51 -04:00 |
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e1a129fbf2
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-24 12:20:14 -04:00 |
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ce830fcdbd
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Update fix_cmap_kokkos.cpp
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2024-10-24 12:20:02 -04:00 |
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56ac4aeedf
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-24 12:12:12 -04:00 |
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00ff895c0d
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Update fix_cmap_kokkos.cpp
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2024-10-24 12:11:12 -04:00 |
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e04be85b7e
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-24 12:07:42 -04:00 |
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4a64b3d9ce
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add d_exchange_sendlist to pack_exchange_kokkos()
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2024-10-24 12:04:41 -04:00 |
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f18850397d
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whitespace
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2024-10-24 09:43:36 -06:00 |
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a844959a07
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Combine into a single -Xcudafe flag to simplify everything
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2024-10-23 23:00:17 -06:00 |
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fdd2fc4f5d
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move error check to Compute::init() so they cannot be bypassed by input commands
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2024-10-23 21:08:07 -04:00 |
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b682f52d11
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fix typos
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2024-10-23 21:07:39 -04:00 |
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820fe1ee8a
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Fix compile issue with gcc
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2024-10-23 12:18:20 -06:00 |
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915f636d50
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Update GNU Make for new files
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2024-10-23 10:28:42 -06:00 |
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558b1c5197
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apply clang-format, fix other minor formatting issues, use error->one()
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2024-10-23 12:10:28 -04:00 |
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077c77f402
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contributions from bonded interactions is broken when running in parallel
see https://matsci.org/t/missing-bond-contributions-from-compute-stress-mop/58455
for details.
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2024-10-23 12:09:35 -04:00 |
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1ec7ba547d
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-22 14:47:19 -04:00 |
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22a15c7cf8
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cuda bugfix again
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2024-10-22 14:15:02 -04:00 |
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5bdd616bcd
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cuda bugfix
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2024-10-22 12:42:49 -04:00 |
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83db9b8fe6
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small cleanup and modernization
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2024-10-22 10:25:22 -04:00 |
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5c07882a18
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fix warning(s)
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2024-10-20 18:30:19 -04:00 |
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760d871b7a
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enabled and apply clang-format
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2024-10-19 11:02:53 -04:00 |
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2074b0c400
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add check to allow only valid swaps between hybrid sub-styles and document it
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2024-10-18 21:49:55 -04:00 |
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9abfe38120
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Merge branch 'develop' into collected-small-changes
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2024-10-14 22:54:22 -04:00 |
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59bbc5bcc1
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Merge pull request #4356 from evoyiatzis/patch-1
add extract() function to few angle and bond styles
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2024-10-14 19:25:29 -04:00 |
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6478cd98e9
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add extract() function to angle_mesocnt.cpp
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2024-10-14 11:30:20 +02:00 |
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1a6544a04c
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add extract() function to angle_mesocnt.h
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2024-10-14 11:29:47 +02:00 |
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0c61cb02cc
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add extract() function to angle_amoeba.cpp
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2024-10-14 09:42:04 +02:00 |
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292ca89cb0
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add extract() function to angle_amoeba.h
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2024-10-14 09:41:23 +02:00 |
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f7291713f5
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error out when fix nve is used with additional arguments
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2024-10-13 19:34:56 -04:00 |
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eafef460e2
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silence compiler warning
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2024-10-13 19:24:35 -04:00 |
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f8a8783044
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-12 20:09:59 -04:00 |
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7cc5f1923d
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add extract() function to angle_cross.cpp
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2024-10-12 15:17:07 +02:00 |
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02d74417c1
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add extract() function to angle_cross.h
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2024-10-12 15:16:34 +02:00 |
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b619cce773
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add extract() function to bond_gaussian.cpp
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2024-10-11 10:54:56 +02:00 |
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7da8434d5b
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add extract() function to bond_gaussian.h
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2024-10-11 10:54:24 +02:00 |
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732ef6bd44
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add extract() function to angle_gaussian.cpp
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2024-10-11 10:53:45 +02:00 |
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44625312ea
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add extract() function to angle_gaussian.h
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2024-10-11 10:53:02 +02:00 |
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4766ddbede
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Update bond_nonlinear.cpp
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2024-10-11 10:52:21 +02:00 |
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b5386d714e
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Update extract() function to bond_morse.cpp
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2024-10-11 10:51:14 +02:00 |
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87737c1a47
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add extract() function to angle_cosine_buck6d.cpp
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2024-10-11 10:49:45 +02:00 |
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81ac3bbaf6
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add extract() function to angle_cosine_buck6d.h
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2024-10-11 10:49:13 +02:00 |
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1db92ad34b
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add extract() function to angle_class2_p6.cpp
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2024-10-11 10:48:19 +02:00 |
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852c46ba0e
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add extract() function to angle_class2_p6.h
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2024-10-11 10:47:30 +02:00 |
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