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2e98904bba
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update makefile for coul/long/gpu
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2011-11-04 18:31:54 -04:00 |
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5f33185f56
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more files to ignore
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2011-11-03 22:30:56 -04:00 |
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24bedd7ac5
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reinstate the ns/day summary for "real" and "metal" units
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2011-11-03 22:26:34 -04:00 |
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cc0696a225
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follow steve's changes to upstream
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2011-11-03 22:26:05 -04:00 |
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869c578511
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make code compile with recent changes to pppm.h
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2011-11-03 22:25:43 -04:00 |
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75b1670c51
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Merge branch 'master' into openmp-master
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2011-11-01 19:33:41 -04:00 |
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da808ffef8
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Merge branch 'openmp-step9' into openmp-master
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2011-11-01 19:31:43 -04:00 |
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22e01fab5f
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work around pathscale issue and improve parallelism
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2011-11-01 19:31:06 -04:00 |
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0e952beb55
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Merge branch 'openmp-step9' into openmp-master
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2011-11-01 18:50:06 -04:00 |
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abec13a7b6
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Merge branch 'openmp-step9' of github.com:akohlmey/lammps-omp into openmp-step9
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2011-11-01 18:49:26 -04:00 |
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dce818fe0d
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Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp-master
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2011-11-01 18:46:05 -04:00 |
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2eea0f325f
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use default(none) for all OpenMP pragmas now
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2011-11-01 18:45:40 -04:00 |
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4cc7eac046
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use only one consistent definitions of qqrd2e (from Force)
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2011-11-01 18:45:40 -04:00 |
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6f52b5eeae
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use default(none) for all OpenMP pragmas now
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2011-11-01 18:44:34 -04:00 |
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77c1869eb1
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correct thinko in repscale default for sdk angle
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2011-11-01 17:57:13 -04:00 |
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a8c7a085c4
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new implementation of coarse grain potentials almost complete
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2011-11-01 17:57:13 -04:00 |
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638a31ae78
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add /old suffix to original cg/cmm implementations
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2011-11-01 17:57:13 -04:00 |
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ae065f8d39
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support init_style() API similar to bond/dihedral
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2011-11-01 17:57:13 -04:00 |
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95306f83b4
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use only one consistent definitions of qqrd2e (from Force)
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2011-11-01 16:58:41 -04:00 |
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12d429b8fe
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correct thinko in repscale default for sdk angle
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2011-11-01 15:04:59 -04:00 |
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846f100b1e
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fix bug found by PGI compiler
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2011-11-01 13:58:01 -04:00 |
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2ac556eed8
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new implementation of coarse grain potentials almost complete
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2011-10-31 22:20:28 -04:00 |
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618f3ab3ff
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7221 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-31 14:22:24 +00:00 |
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f0e2a07be3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-31 14:22:15 +00:00 |
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147e551335
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add /old suffix to original cg/cmm implementations
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2011-10-30 20:34:08 -04:00 |
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18013be05a
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support init_style() API similar to bond/dihedral
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2011-10-30 20:32:15 -04:00 |
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7807793fdc
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add automatic suppression file generation script
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2011-10-30 19:36:57 -04:00 |
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8dfc02aa41
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add valgrind suppression file for GCC /w OpenMP
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2011-10-30 19:33:54 -04:00 |
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d4623606d8
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add valgrind suppression file for use with OpenMPI
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2011-10-30 19:27:50 -04:00 |
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3ec69f914a
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one more file to ignore
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2011-10-30 17:48:47 -04:00 |
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57539d9c61
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more makefile variants
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2011-10-30 17:48:22 -04:00 |
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40e93ac55b
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updated tersoff/table code with simpler memory managment
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2011-10-30 17:47:24 -04:00 |
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385e4d7aea
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correct tersoff documentation
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2011-10-30 17:21:30 -04:00 |
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717b85e8f8
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add docs for new pair styles
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2011-10-29 00:08:14 -04:00 |
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c1e70a1edb
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add openmp version of tersoff/table
fix memory leak in tersoff/table
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2011-10-29 00:05:55 -04:00 |
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8475162efa
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more files to ignore when installed
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2011-10-28 20:17:41 -04:00 |
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ce2af6e133
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include tersoff/table potential
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2011-10-28 20:16:06 -04:00 |
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da93139e7b
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add prototype implementation for sdk version of angle potential
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2011-10-28 19:40:46 -04:00 |
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f5d47803b6
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add long-range coulomb version of lj/sdk for coarse grain
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2011-10-28 19:31:29 -04:00 |
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b6d7a90ca7
|
some cleanups, prepare for used with sdk angle style
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2011-10-28 19:30:10 -04:00 |
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74fdaea4b5
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cleaner output formatting for OpenMP case.
|
2011-10-28 12:29:01 -04:00 |
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d27ca0d1bd
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multi-threaded version of lj/sdk
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2011-10-27 23:24:32 -04:00 |
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af6796a74a
|
remove unused variables
|
2011-10-27 23:04:59 -04:00 |
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0114dee5a9
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remove useless define
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2011-10-27 23:04:38 -04:00 |
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b9bcc25140
|
complete rewrite of lj/sdk. compiles, runs, test ok.
|
2011-10-27 18:13:06 -04:00 |
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d4e11b033a
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Merge branch 'master' into openmp-master
Resolved Conflicts:
src/FLD/pair_lubricate_poly.h
src/USER-OMP/pair_line_lj_omp.h
src/USER-OMP/pair_lubricate_omp.h
src/fix_wall.cpp
src/fix_wall_reflect.cpp
|
2011-10-27 06:34:07 -04:00 |
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48ebc33f71
|
more files to ignore
|
2011-10-26 21:02:20 -04:00 |
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c8aad060be
|
more detailed and readable timing output
with min/max added for use with load balancing
|
2011-10-26 20:59:26 -04:00 |
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3e857cd7cf
|
make consistent with svn repo
|
2011-10-26 20:58:16 -04:00 |
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049c0fc050
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fix bug with hidden sharing of a variable
|
2011-10-26 15:05:11 -04:00 |
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