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c5ac2333f7
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eliminate msm styles for now
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2011-11-06 15:57:18 -05:00 |
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c1aaa2c1bd
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provide info for OpenCL compilation
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2011-11-06 15:45:39 -05:00 |
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2f4836a100
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bugfix from mike brown
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2011-11-06 12:00:41 -05:00 |
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f982ae2c2c
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second part of the GPU update merge
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2011-11-04 19:34:09 -04:00 |
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0eb377ace6
|
files to ignore
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2011-11-04 19:23:56 -04:00 |
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400e91c22b
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added placeholder for AMD FirePro3D optimizations
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2011-11-04 19:21:09 -04:00 |
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fe583386ec
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import gpu library snapshot from mike brown
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2011-11-04 19:17:12 -04:00 |
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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
|
2011-11-01 18:45:40 -04:00 |
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4cc7eac046
|
use only one consistent definitions of qqrd2e (from Force)
|
2011-11-01 18:45:40 -04:00 |
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6f52b5eeae
|
use default(none) for all OpenMP pragmas now
|
2011-11-01 18:44:34 -04:00 |
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77c1869eb1
|
correct thinko in repscale default for sdk angle
|
2011-11-01 17:57:13 -04:00 |
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a8c7a085c4
|
new implementation of coarse grain potentials almost complete
|
2011-11-01 17:57:13 -04:00 |
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638a31ae78
|
add /old suffix to original cg/cmm implementations
|
2011-11-01 17:57:13 -04:00 |
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ae065f8d39
|
support init_style() API similar to bond/dihedral
|
2011-11-01 17:57:13 -04:00 |
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95306f83b4
|
use only one consistent definitions of qqrd2e (from Force)
|
2011-11-01 16:58:41 -04:00 |
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|
12d429b8fe
|
correct thinko in repscale default for sdk angle
|
2011-11-01 15:04:59 -04:00 |
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846f100b1e
|
fix bug found by PGI compiler
|
2011-11-01 13:58:01 -04:00 |
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2ac556eed8
|
new implementation of coarse grain potentials almost complete
|
2011-10-31 22:20:28 -04:00 |
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618f3ab3ff
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7221 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-10-31 14:22:24 +00:00 |
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|
f0e2a07be3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-10-31 14:22:15 +00:00 |
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|
147e551335
|
add /old suffix to original cg/cmm implementations
|
2011-10-30 20:34:08 -04:00 |
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|
18013be05a
|
support init_style() API similar to bond/dihedral
|
2011-10-30 20:32:15 -04:00 |
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|
|
7807793fdc
|
add automatic suppression file generation script
|
2011-10-30 19:36:57 -04:00 |
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|
8dfc02aa41
|
add valgrind suppression file for GCC /w OpenMP
|
2011-10-30 19:33:54 -04:00 |
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|
d4623606d8
|
add valgrind suppression file for use with OpenMPI
|
2011-10-30 19:27:50 -04:00 |
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|
3ec69f914a
|
one more file to ignore
|
2011-10-30 17:48:47 -04:00 |
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|
57539d9c61
|
more makefile variants
|
2011-10-30 17:48:22 -04:00 |
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|
40e93ac55b
|
updated tersoff/table code with simpler memory managment
|
2011-10-30 17:47:24 -04:00 |
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|
|
385e4d7aea
|
correct tersoff documentation
|
2011-10-30 17:21:30 -04:00 |
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|
|
717b85e8f8
|
add docs for new pair styles
|
2011-10-29 00:08:14 -04:00 |
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|
|
c1e70a1edb
|
add openmp version of tersoff/table
fix memory leak in tersoff/table
|
2011-10-29 00:05:55 -04:00 |
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|
8475162efa
|
more files to ignore when installed
|
2011-10-28 20:17:41 -04:00 |
|
|
|
ce2af6e133
|
include tersoff/table potential
|
2011-10-28 20:16:06 -04:00 |
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|
|
da93139e7b
|
add prototype implementation for sdk version of angle potential
|
2011-10-28 19:40:46 -04:00 |
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|
|
f5d47803b6
|
add long-range coulomb version of lj/sdk for coarse grain
|
2011-10-28 19:31:29 -04:00 |
|
|
|
b6d7a90ca7
|
some cleanups, prepare for used with sdk angle style
|
2011-10-28 19:30:10 -04:00 |
|
|
|
74fdaea4b5
|
cleaner output formatting for OpenMP case.
|
2011-10-28 12:29:01 -04:00 |
|
|
|
d27ca0d1bd
|
multi-threaded version of lj/sdk
|
2011-10-27 23:24:32 -04:00 |
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|
|
af6796a74a
|
remove unused variables
|
2011-10-27 23:04:59 -04:00 |
|
