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b6b022b610
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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4e5520ced6
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remove some dead code and reduce compiler warnings in SNAP package
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2019-10-18 16:05:39 +02:00 |
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346b3c53ee
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Added comm->me check
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2019-10-11 11:07:02 -06:00 |
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a1c49159a4
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Added invisible helper function to check values of Clebsch-Gordan coefficients
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2019-10-10 18:32:16 -06:00 |
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06dcc9e283
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Merge branch 'master' into improve-include-consistency
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
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2019-07-09 14:50:00 -04:00 |
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416911aa7e
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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fc1d8f2cbf
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more cleanup of include file handling. starting to work on files in packages
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2019-07-02 05:15:30 -04:00 |
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559c187964
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Update SNA::memory_usage()
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2019-07-01 08:20:48 -06:00 |
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a8d4ac74fa
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Remove temporary ulist variable
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2019-07-01 08:13:53 -06:00 |
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d918432047
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Fix issue with compute_duarray
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2019-06-28 09:54:24 -06:00 |
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1e2aeed2ac
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Remove no-op
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2019-06-27 08:53:58 -06:00 |
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60adaa24cb
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Remove redundant computation
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2019-06-27 08:52:34 -06:00 |
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4d7d3a5d53
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Switched algorithm for compute_yi to one based on zlist ordering
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2019-06-13 15:56:18 -06:00 |
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65b87fa278
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Updated SNAP in KOKKOS package so it compiles and runs
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2019-06-13 09:54:56 -06:00 |
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a973700295
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Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.
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2019-06-12 16:42:28 -06:00 |
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0559e155f2
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Implemented lists instead of multidim arrays
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2019-06-11 18:24:02 -06:00 |
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960a975e2a
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Added compact arrays, removed unused openmp stuff
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2019-06-03 19:50:40 -06:00 |
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6d84bd6138
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Added compute_beta()
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2019-05-10 10:34:01 -06:00 |
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a243be2dc9
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Added bare-bones yarray algorithm, 2x speedup
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2019-04-21 22:10:03 -06:00 |
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92a4dc25b1
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Fix unused params in packages (#1076)
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2018-08-24 10:42:08 -06:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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44841f6891
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fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
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2017-03-23 15:31:27 -06:00 |
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efaa4c6710
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new neigh_modify exclude option, other SNAP changes
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2017-03-07 09:31:12 -07:00 |
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9ae8b64f9a
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Cleaned up sna factorial table
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-05 03:31:39 +00:00 |
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f496b51d56
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Changed the factorial table to static member
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14261 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-11-17 23:10:26 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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84a5ec39ec
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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ed9b130d6e
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Added LAMMPS headers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12509 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-12 22:55:05 +00:00 |
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e898a2c91b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12448 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-09 14:20:12 +00:00 |
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1a4c75e8e5
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Added Axel's changes to the OMP parts
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12446 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-08 18:25:13 +00:00 |
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af21769abe
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-05 23:16:15 +00:00 |
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