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0745f717d8
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Merge branch 'master' into openmp-master
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2011-11-09 07:30:32 -05:00 |
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dc263fb4d9
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add gauss/cut and coul/diel for arben's implicit solvent
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2011-11-08 22:58:00 -05:00 |
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f9807b3ebf
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use single precision FFT-2 for now
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2011-11-08 22:30:23 -05:00 |
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63dd17808d
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remove threaded gpu style and update install script for cg/cmm lj/sdk rename
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2011-11-08 22:30:00 -05:00 |
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07e32b3836
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add backward compatibility with cg/cmm style
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2011-11-08 18:05:05 -05:00 |
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45f492e42b
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fix bug that killed coulomb contributions
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2011-11-08 18:04:44 -05:00 |
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fae31df039
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fix typo
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2011-11-08 18:03:58 -05:00 |
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1963ce8783
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7223 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-08 14:53:07 +00:00 |
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181c77d346
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7222 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-08 14:51:25 +00:00 |
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0ce50309a4
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more files to ignore
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2011-11-07 20:55:36 -05:00 |
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fb788f6a05
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convert lj/sdk GPU styles to use the new CPU version
warning. still buggy
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2011-11-07 20:54:30 -05:00 |
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ef385531fe
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fix bug with coefficient parsing for sdk angles
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2011-11-07 20:53:37 -05:00 |
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3fb3dfa547
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rename cg/cmm styles to the new lj/sdk names
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2011-11-07 19:32:59 -05:00 |
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023128d64a
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more files to ignore
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2011-11-07 19:12:53 -05:00 |
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45479a785a
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complete implementation of angle/sdk and add multi-threaded version
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2011-11-07 19:12:24 -05:00 |
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1c5de20564
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Merge branch 'libgpu-update' into openmp-step10
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2011-11-07 18:10:11 -05:00 |
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1c5c032435
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add threaded version of lj/sdk/coul/long
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2011-11-07 18:02:56 -05:00 |
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8a0947a718
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bugfixes in lj/sdk potentials
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2011-11-07 18:02:38 -05:00 |
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1109a4ec5e
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fix bug in timer initialization
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2011-11-07 18:01:57 -05:00 |
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463d13d99b
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update list of files/dirs to ignore
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2011-11-06 16:00:53 -05:00 |
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255f258808
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files to ignore
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2011-11-06 15:59:01 -05:00 |
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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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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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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
|
make code compile with recent changes to pppm.h
|
2011-11-03 22:25:43 -04:00 |
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75b1670c51
|
Merge branch 'master' into openmp-master
|
2011-11-01 19:33:41 -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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6f52b5eeae
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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
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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
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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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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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3ec69f914a
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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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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 |
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ce2af6e133
|
include tersoff/table potential
|
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
|
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
|
2011-10-28 19:31:29 -04:00 |
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b6d7a90ca7
|
some cleanups, prepare for used with sdk angle style
|
2011-10-28 19:30:10 -04:00 |
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74fdaea4b5
|
cleaner output formatting for OpenMP case.
|
2011-10-28 12:29:01 -04:00 |
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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 |
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0114dee5a9
|
remove useless define
|
2011-10-27 23:04:38 -04:00 |
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