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dbc55a403f
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overhaul of fix ipi to be more consistent with LAMMPS programming conventions
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2014-08-12 11:33:59 -04:00 |
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e2352387fb
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some clarification of domain socket name. ifdef out include files on windows
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2014-08-11 18:09:17 -04:00 |
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76a61445d8
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add fix ipi for path integrals via python frontend
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2014-08-11 16:07:31 -04:00 |
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2d5428bee0
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minor corrections to GLE code from michele ceriotti
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2014-08-11 15:51:53 -04:00 |
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4a197537c0
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
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2014-08-07 08:24:10 -04:00 |
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ad4d9d88b8
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include optimized matrix-matrix multiplication
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2014-08-06 18:59:47 -04:00 |
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ce4bea7aac
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replace unsigned long with int and simplify C reinit.
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2014-08-06 13:18:49 -04:00 |
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2cca373515
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-06 16:07:54 +00:00 |
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57b8a339eb
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clean up reading of C matrix and fix missing scaling bug
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2014-08-05 01:51:31 -04:00 |
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8821eb0518
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cleaned up code some. doesn't seem to fully work yet.
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2014-08-05 01:14:23 -04:00 |
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2056624858
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remove trailing whitespace
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2014-08-04 22:23:31 -04:00 |
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5e98c4a3e6
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some simple cleanup and correction to C++ style and syntax
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2014-08-04 22:21:41 -04:00 |
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ff39614926
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import updated GLE fix from michele ceriotti
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2014-08-04 22:17:04 -04:00 |
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29ae4bd8dc
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
lib/cuda/Makefile.lammps
lib/gpu/lal_coul_long.cu
src/VORONOI/compute_voronoi_atom.cpp
src/version.h
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2014-07-01 12:08:09 -04:00 |
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026ff1f6dd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12144 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-27 17:22:32 +00:00 |
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4acacd8e3b
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/MISC/fix_efield.cpp
src/fix_addforce.cpp
src/fix_move.cpp
src/fix_setforce.cpp
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2014-05-08 08:49:17 -04:00 |
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53db68362e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-07 14:30:27 +00:00 |
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8bee4ef596
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-02 21:49:36 +00:00 |
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0fbda306f9
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next batch of code cleanup based on compiler warnings
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2014-04-30 08:08:30 -04:00 |
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f461504c93
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-18 15:25:28 +00:00 |
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9374001aad
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next batch of unused variable removal
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2014-04-16 16:36:59 -04:00 |
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492e027896
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some more cleanups based on warnings from newer gcc
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2014-04-16 15:53:44 -04:00 |
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1fac1d41fa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-15 15:24:27 +00:00 |
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d7bbb795ff
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spelling fix
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2014-04-12 12:44:58 -04:00 |
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323e3075c4
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remove even more unused variables and have consistent initialization
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2014-04-12 18:39:01 +02:00 |
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0916861315
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-11 14:46:49 +00:00 |
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5fcfc9f575
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various little cleanups to silence compiler warnings
clarify/simplify some code and initialize variables where needed.
also remove dead code and unused class members
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2014-04-10 18:21:12 +02:00 |
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eabcf5cd7d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11732 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-07 21:10:33 +00:00 |
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9ca0fa9029
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make pair style tersoff/table/omp thread safe
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2014-04-05 17:13:23 -04:00 |
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0de9e4252b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-04 16:40:17 +00:00 |
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573db9e2f7
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/fix_oneway.txt
doc/fix_temp_csvr.txt
src/fix_move.cpp
src/fix_nh.cpp
src/fix_temp_csvr.cpp
src/neigh_stencil.cpp
src/pair.cpp
src/pair_hybrid.cpp
src/read_data.cpp
tools/msi2lmp/src/msi2lmp.c
tools/msi2lmp/src/msi2lmp.h
Signed-off-by: Axel Kohlmeyer <akohlmey@gmail.com>
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2014-03-12 17:43:22 -04:00 |
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61af282654
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move open_potential() from pair.cpp to force.cpp and extend to bonds/angles
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2014-02-14 14:17:15 -05:00 |
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1a8ee73f0a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-02-13 15:55:28 +00:00 |
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7b433cf7a2
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add a few more cases that should recognize $LAMMPS_POTENTIALS
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2014-02-11 22:07:40 -05:00 |
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10fb1ebded
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11420 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-31 22:48:28 +00:00 |
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2a59bed5aa
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cosmetic changes
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2014-01-31 16:58:25 -05:00 |
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1ba04dabf6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-30 18:30:18 +00:00 |
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f709b5d63a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11283 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-21 15:43:45 +00:00 |
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04dc30ab86
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adapt fix imd so it compiles with -DLAMMPS_BIGBIG
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2014-01-20 18:34:26 -05:00 |
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46e8e6c120
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/MAKE/Makefile.openmpi
src/MANYBODY/fix_qeq_comb.cpp
src/MANYBODY/pair_nb3b_harmonic.cpp
src/RIGID/fix_rigid_small.cpp
src/RIGID/fix_shake.cpp
src/USER-REAXC/fix_qeq_reax.cpp
src/USER-REAXC/fix_reaxc_bonds.cpp
src/read_data.cpp
src/special.h
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2014-01-18 11:52:59 -05:00 |
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cb1ad361fb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-17 21:17:42 +00:00 |
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bad19033d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-17 18:43:09 +00:00 |
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a6ca3cab54
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
src/RIGID/fix_rigid_small.cpp
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2014-01-16 20:53:36 -05:00 |
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a1ef01fc1a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-14 16:17:20 +00:00 |
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968623d245
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add fix that allows only one direction of velocities in a given region.
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2014-01-10 15:17:42 -05:00 |
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5b0c62a2a0
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/USER-MISC/bond_harmonic_shift.cpp
src/USER-MISC/bond_harmonic_shift_cut.cpp
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2013-11-26 13:39:09 +01:00 |
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8fb13f4671
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11055 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-25 16:04:01 +00:00 |
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1f844fd910
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-25 16:02:48 +00:00 |
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6822a592c8
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fix bug in write_data
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2013-11-24 17:32:55 +01:00 |
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356e222654
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bufixes for angle style quartic
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2013-11-23 22:55:26 +01:00 |
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