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501 Commits

Author SHA1 Message Date
Axel Kohlmeyer 5ecc3ce366 avoid division by zero when trying to run PPPM on a system without atoms 2018-01-04 20:44:40 -05:00
Steve Plimpton 0966e14e73 more changes to rRESPA neighbor lists 2017-10-17 17:33:01 -06:00
Axel Kohlmeyer 4ec07422f0 avoid division by zero when using cutoff 0.0 with pair_modify shift yes 2017-07-14 23:33:00 -04:00
Axel Kohlmeyer c24fca61f3 fix possible uninitialized data access with pppm and pppm/disp 2017-07-12 18:14:11 -04:00
sjplimp 9eeb97b039 Merge pull request #544 from akohlmey/tip4p-triclinic 
Correct handling of triclinic box support in pppm/tip4p and pppm/tip4p/omp
 2017-07-03 12:24:18 -06:00
Axel Kohlmeyer 73b948dcfc pppm must be fully reinitialized after switching to triclinic box to avoid memory corruption 2017-06-23 10:01:45 -04:00
Axel Kohlmeyer c5430b0a26 print info messages when changing qqr2e constant in fully CHARMM compatible pair styles 2017-06-22 18:41:44 -04:00
Axel Kohlmeyer 488d1b7a79 correct find_M() function in pppm/tip4p to properly account for ghost atoms not being in lamda space with triclinic cells 2017-06-22 17:36:18 -04:00
Steve Plimpton 60c3f3d64c use CHARMM energy conversion factor with new CHARMM pair styles 2017-06-22 09:15:15 -06:00
Axel Kohlmeyer b9029ada77 fix bug in incorrect use of O coordinate instead of M coordinate in pppm/tip4p 2017-06-22 00:07:59 -04:00
Axel Kohlmeyer 2988508cee correct indexing bug in pair style lj/long/tip4p/long 2017-06-20 17:53:45 -04:00
Axel Kohlmeyer 2e728972e2 make pair styles lj/cut/tip4p/long/omp, lj/long/tip4p/long and lj/long/tip4p/long/omp consistent with the reset of tip4p styles 2017-06-07 17:09:45 -04:00
Axel Kohlmeyer 4b8d2e829c triclinic member variable is referenced in destructor and thus must be initialized in constructor 2017-05-30 07:41:01 -04:00
Axel Kohlmeyer 51fc386e72 correct the inner loop range for resetting cutoffs when redefining a pair style 
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
 2017-05-16 00:26:18 -04:00
sjplimp dcc5472cba Merge pull request #452 from akohlmey/small-fixes-and-updates 
Small fixes and updates
 2017-05-04 11:23:23 -06:00
Steve Plimpton addd87c0f7 new Section package and start doc pages and build scripts 2017-05-04 11:22:20 -06:00
Axel Kohlmeyer 197ce4580b avoid division by zero also for ewald/disp 2017-04-21 17:27:08 -04:00
Axel Kohlmeyer 8f14511831 avoid division by zero by initializing unset (=automatic) g_ewald parameters to some number > 0. 2017-04-21 16:46:27 -04:00
Axel Kohlmeyer 28bdebd3c0 avoid segfault when calling PPPM*::memory_usage() before grid communication is initialized 2017-03-28 07:50:48 -04:00
Steve Plimpton 394e9b42b0 new CHARMM pair styles with force swithing/shifting 2017-03-24 13:53:07 -06:00
Axel Kohlmeyer 554531a302 update permissions 2017-03-20 13:51:36 -04:00
Richard Berger 7dd60f9737 Fix typos in src files 2017-03-05 21:03:40 -05:00
Steve Plimpton 1cd4c48ccc new SNAP potential for W 2017-02-21 15:49:21 -07:00
Steve Plimpton cb982f2f28 sync 13Feb17 patch back to GH 2017-02-13 09:05:03 -07:00
Axel Kohlmeyer 191453e1c7 Merge branch 'master' into fft-cleanup 2017-02-03 16:53:10 -05:00
Axel Kohlmeyer 9d1991bf84 remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3 2017-02-02 08:10:23 -05:00
Dan Ibanez 2023fa28e0 consistent #ifdefs for fft3d variable (2) 
this variable is only used when FFTW3
is enabled, so its declaration and
initialization should be protected
under the same conditions to avoid
compiler warnings
 2017-01-27 08:35:37 -07:00
Dan Ibanez 5b29515849 fft3d: use C++ loop declarations 
the variable (offset) is only
used in a subset of numerous
scenarios with #ifdef, it seems
better just to have each loop
declare it as needed.
(avoids compiler warnings)
 2017-01-27 08:35:37 -07:00
Dan Ibanez 5b18421dd2 fft3d : remove unused variables 2017-01-27 08:35:37 -07:00
Dan Ibanez cf95ea0709 fft3d: only declare variables when used 
avoids compiler warnings
 2017-01-27 08:35:36 -07:00
Dan Ibanez 6a74a81da0 consistent #ifdefs for fft3d variable 
this variable is only used when FFTW3
is enabled, so its declaration and
initialization should be protected
under the same conditions to avoid
compiler warnings
 2017-01-27 08:35:36 -07:00
Axel Kohlmeyer 3f46b6d782 fix bugs from incorrect code synchronization 2017-01-16 11:15:54 -05:00
Axel Kohlmeyer 5abd6e5122 reordering operations in Pair::init_style() to avoid segfaults w/o a kspace style 2017-01-16 11:08:48 -05:00
Steve Plimpton c31f1e9f22 add fix mscg command, example, lib 2017-01-09 13:36:40 -07:00
Steve Plimpton 142770cb2a enable pppm/tip4p to work with triclinic 2017-01-06 10:38:32 -07:00
sjplimp 83da5d3b5d Merge pull request #323 from akohlmey/pppm-cg-triclinic 
synchronize pppm/cg with changes in pppm and remove block on triclinic
 2017-01-06 10:10:09 -07:00
Steve Plimpton f6a819580c pair TIP4P bug fix for cutoffs >> box size 2017-01-06 09:57:27 -07:00
Axel Kohlmeyer 634eb357d2 synchronize pppm/cg with pppm and remove block on triclinic 2016-12-24 16:09:18 -05:00
Steve Plimpton ae5764beac added functionity to lib interface 2016-12-13 16:22:17 -07:00
Anders Hafreager a5c6104d64 Initialize pointers in KSPACE 2016-11-07 16:54:59 +01:00
sjplimp f0131393e0 Merge pull request #248 from akohlmey/collected-small-fixes 
collected small bugfixes and updates
 2016-11-04 10:58:42 -06:00
Axel Kohlmeyer c8f4b55588 avoid uninitialized data for using ewald/disp with lj only 2016-11-01 16:48:30 -04:00
Axel Kohlmeyer 782a328080 avoid memory leaks when using kspace solvers for lennard-jones 2016-11-01 14:55:13 -04:00
Axel Kohlmeyer e81ae21dbd do not access uninitialized data for ewald/disp and pppm/disp 2016-11-01 14:54:16 -04:00
Axel Kohlmeyer 35753b8f08 add error location propagation to force->bounds() and force->boundsbig() 2016-10-26 15:53:02 -04:00
Axel Kohlmeyer 9b2d5ff3e7 remove executable permissions on non-executables and non-scripts 2016-09-08 14:45:07 -04:00
Steve Plimpton 3bb3c1a45c add pppm/kk and fix reax/c issues 2016-09-06 10:46:51 -06:00
sjplimp b5836fa491 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15401 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-30 14:47:01 +00:00
sjplimp ae255c847b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15375 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-27 22:51:18 +00:00
sjplimp ddd85f006c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-27 14:04:56 +00:00
sjplimp 876b033ea8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:33:07 +00:00
sjplimp eb8fdc4ab6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-15 16:08:22 +00:00
sjplimp 9e20448834 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-08 16:18:20 +00:00
sjplimp 0939eb1ee9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 22:30:45 +00:00
sjplimp 354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
sjplimp cee848f948 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-22 22:06:49 +00:00
sjplimp 8a10c55a3b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 19:39:28 +00:00
sjplimp 9a878cdd67 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 18:29:37 +00:00
sjplimp ce59e32d1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-28 20:00:56 +00:00
sjplimp 2f55b6da36 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13903 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-19 14:55:57 +00:00
sjplimp 6106843d57 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:51:23 +00:00
sjplimp 09581bb143 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-14 14:42:02 +00:00
sjplimp d72fcf5acc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-27 13:41:29 +00:00
sjplimp b977c7a13b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13290 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-25 16:03:25 +00:00
sjplimp ac0b1d1ac3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:51:04 +00:00
sjplimp 84a5ec39ec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
stamoor da43baf1ff Fixing a few bugs in Kokkos 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13146 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2015-02-23 23:45:29 +00:00
pscrozi 4e8c2824e3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13135 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-19 23:38:45 +00:00
sjplimp 9312336d24 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13112 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-13 22:15:04 +00:00
sjplimp 4a975dd8cf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:49:20 +00:00
sjplimp 1eb5be1591 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 22:14:11 +00:00
sjplimp aeb7fec23a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-12-02 02:15:39 +00:00
sjplimp 21ac09ad9c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:17:02 +00:00
sjplimp 7518fae9bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-21 17:09:24 +00:00
sjplimp f350cc4ec7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-20 21:17:46 +00:00
sjplimp 166a9c5bc7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 23:03:23 +00:00
stamoor e8b64a9080 Fixed memory error in ewald_disp.cpp 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12563 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2014-09-26 18:45:18 +00:00
sjplimp b74fcc80ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-25 16:49:25 +00:00
sjplimp 4ea728dc80 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-25 16:01:17 +00:00
sjplimp 0f6eb0877e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-14 16:30:03 +00:00
sjplimp c1e12f9508 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-08 17:55:44 +00:00
sjplimp 9026afed5c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-08 14:25:15 +00:00
sjplimp 3f3446e8dd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-07 14:23:14 +00:00
sjplimp 3dace181b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 14:42:16 +00:00
sjplimp 8b6dd56190 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-31 21:39:36 +00:00
sjplimp e8dd5814f3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 17:37:50 +00:00
sjplimp fe1ade5fad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 14:59:20 +00:00
sjplimp 65a76deb45 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 20:13:44 +00:00
sjplimp 32d641d3f9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-16 20:57:10 +00:00
sjplimp 6c06a66ae7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-13 15:23:13 +00:00
sjplimp 8bee4ef596 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 21:49:36 +00:00
sjplimp f461504c93 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-18 15:25:28 +00:00
sjplimp 121e237acd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11792 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-15 15:32:49 +00:00
sjplimp 1fac1d41fa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-15 15:24:27 +00:00
sjplimp 0916861315 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-11 14:46:49 +00:00
sjplimp 4c70995165 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11763 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-09 19:48:30 +00:00
stamoor d94811f0e8 Removed redundant class variables 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11760 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2014-04-09 17:34:56 +00:00
sjplimp c0fbdbefaa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11756 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-09 16:50:23 +00:00
sjplimp ce9b5d2f3f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11702 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-04 16:40:30 +00:00
sjplimp d54bd651a3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-19 19:00:18 +00:00
sjplimp 7b291636cf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-14 22:28:09 +00:00
sjplimp 88cd9113f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11604 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-10 14:11:39 +00:00
sjplimp 2bcf10827c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11588 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-06 15:28:27 +00:00
sjplimp f1e2227ed1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11584 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-04 16:45:44 +00:00
sjplimp 958a442beb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11539 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-12 01:07:55 +00:00
sjplimp cd9ad0b7d2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11391 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 18:18:18 +00:00
sjplimp 3f3e996939 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11389 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 17:42:09 +00:00
sjplimp 8a50725149 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11388 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 17:06:17 +00:00
sjplimp 677b11428e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11387 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 16:09:37 +00:00
sjplimp 889bae9bf8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11386 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 23:37:38 +00:00
sjplimp c758cc119f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11384 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 23:31:57 +00:00
sjplimp 9fe494cc6a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 18:59:46 +00:00
sjplimp 7f81b2f2ff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11371 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 01:37:09 +00:00
sjplimp 91bdb7f690 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11367 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 00:37:56 +00:00
sjplimp b9f7190578 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11364 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 00:35:51 +00:00
sjplimp 74be71df0b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11267 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-20 23:54:27 +00:00
sjplimp bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +00:00
sjplimp 8ff753d958 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-22 17:14:39 +00:00
athomps a4d29d41dd Added kmax/ewald keyword 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10871 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-10-16 22:19:54 +00:00
athomps 3356e53476 Eliminated kmax=0 for triclinic 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-09-27 19:37:28 +00:00
sjplimp 0bf07f466d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10661 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-23 14:29:56 +00:00
sjplimp 9af873dddb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10599 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-19 19:25:37 +00:00
sjplimp 5b00a238c3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10499 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-30 21:52:44 +00:00
sjplimp f086c6d5fb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10417 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-26 15:53:40 +00:00
sjplimp 3d122eee39 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10325 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-24 16:07:30 +00:00
sjplimp 4b21fc7c81 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10306 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 16:20:57 +00:00
sjplimp 04b2bbfc43 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10302 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 16:14:44 +00:00
sjplimp ba877e83ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10291 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:21:17 +00:00
sjplimp 42408bc41d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:18:51 +00:00
sjplimp 2584cbe902 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10289 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:16:11 +00:00
sjplimp 366484eb34 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10284 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:02:51 +00:00
sjplimp 481bcc774b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10283 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:01:19 +00:00
sjplimp 2135141fe9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10282 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 23:02:25 +00:00
sjplimp c102c621e3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:54:22 +00:00
sjplimp 580bffefea git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10273 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:27:57 +00:00
sjplimp b0007d45b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:27:42 +00:00
sjplimp ce91adefc1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:20:54 +00:00
sjplimp f37ae6cb74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 19:06:37 +00:00
sjplimp ede1d48773 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10138 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:55:04 +00:00
sjplimp df08f3e483 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10137 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:54:17 +00:00
sjplimp 83f360b90b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10136 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:53:09 +00:00
sjplimp c0acc33584 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10134 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:51:59 +00:00
sjplimp 45f0fb457d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10133 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:51:44 +00:00
sjplimp cb90b71a13 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10132 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:51:34 +00:00
sjplimp c0afb45368 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10131 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:50:40 +00:00
sjplimp 440d389779 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10130 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 23:50:33 +00:00
sjplimp 71a19e3883 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10114 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 21:44:07 +00:00
sjplimp 2dbe3f80a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 20:02:55 +00:00
pscrozi 81e1af3934 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10068 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-10 23:42:05 +00:00
sjplimp 00fe31ddd4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10052 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-08 21:35:06 +00:00