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037e91f77f
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updated documentation for inclusion of airebo/morse
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2016-03-15 17:27:37 -04:00 |
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d4f5612904
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pair style rebo/morse makes no sense. removed.
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2016-03-15 17:27:06 -04:00 |
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906ebc261e
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Integrate AIREBO-M by merging it into regular AIREBO and building wrapper classes
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2016-03-15 16:39:31 -04:00 |
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1a9f4dbcef
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prepare for merging in AIREBO-M code
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2016-03-15 14:37:51 -04:00 |
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21163ae28b
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it is bad practice to overwrite members from other classes, and not needed here anyway.
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2016-03-15 11:49:04 -04:00 |
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c874ec86df
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Resolved Conflicts:
# doc/Manual.txt
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2016-03-15 06:33:59 -04:00 |
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5d2a0214fa
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remove debug printf()s.
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2016-03-14 19:54:03 -04:00 |
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b760ca8038
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14750 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 19:11:28 +00:00 |
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a59445d4b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14749 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 19:10:32 +00:00 |
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93e451b594
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14748 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 19:06:38 +00:00 |
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ec42f2530c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14747 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:46:42 +00:00 |
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ad3c57cb63
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:45:25 +00:00 |
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61c0608ffa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:45:15 +00:00 |
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16b9206d98
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14744 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:44:45 +00:00 |
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92ef1cb060
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14743 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:44:13 +00:00 |
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2e3032723c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14742 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:41:57 +00:00 |
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66b282b36d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14741 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:41:39 +00:00 |
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e02c66b932
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14740 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:40:28 +00:00 |
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3aa052628c
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update ccache settings for TravisCI as described in docs
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2016-03-13 07:20:06 -04:00 |
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ef01d1b840
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correctly identify rigid and rigid/small derived fixes in compute */rigid
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2016-03-13 07:04:54 -04:00 |
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6eb1ade2f0
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add simple test for newly added compute bond command
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2016-03-12 20:31:55 -05:00 |
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b154a21d50
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add a compute bond that allows accessing per sub-style bond energies.
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2016-03-12 20:25:32 -05:00 |
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ca56f521f4
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adapt attribution to usual LAMMPS style
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2016-03-11 17:00:24 -05:00 |
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6be61b0803
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Merge branch 'merge-pull-38' into lammps-icms
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2016-03-11 16:56:33 -05:00 |
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c80fb4b8ea
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Merge branch 'pair-morse-smooth-linear-omp' of https://github.com/Pakketeretet2/lammps into merge-pull-38
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2016-03-11 16:54:43 -05:00 |
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b6355a0772
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Done making changes.
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2016-03-11 16:39:50 -05:00 |
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739b14fae0
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remove obsolete code
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2016-03-11 15:43:22 -05:00 |
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8d48e2b419
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Merge branch 'merge-pull-37' into lammps-icms
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2016-03-11 11:10:09 -05:00 |
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d654d83686
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also mention the OpenMP version
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2016-03-11 11:09:04 -05:00 |
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3d506cf5b3
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restore unchanged doc/pair_thole.html file. will be updated upstream.
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2016-03-11 11:05:22 -05:00 |
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b17f6a1590
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Docs on lj/cut/thole/long
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2016-03-11 15:29:19 +01:00 |
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162222a62c
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Merge pull request #1 from lammps/lammps-icms
Resync with upstream
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2016-03-11 15:22:17 +01:00 |
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e58b10fa81
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fix bug in lj/charmm/coul/charmm reported on lammps-users
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2016-03-11 08:45:28 -05:00 |
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32123d875f
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forgot file with dependencies
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2016-03-11 07:18:33 -05:00 |
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e14762f7a1
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provide explicit dependencies in lib/meam for parallel make
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2016-03-11 07:10:21 -05:00 |
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89811fe1e0
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parallel make tries to run tests in paralle, too. not good.
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2016-03-11 07:06:12 -05:00 |
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b0ffa46a3b
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adapt personal makefiles to the new location of fastdep
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2016-03-11 06:48:01 -05:00 |
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bce9b641f4
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remove duplicate copy of fastdep tool.
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2016-03-11 06:45:45 -05:00 |
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1cf0e40793
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
#Resolved Conflicts:
# doc/Manual.txt
# src/MAKE/MACHINES/Makefile.mingw32-cross
# src/MAKE/MACHINES/Makefile.mingw32-cross-mpi
# src/MAKE/MACHINES/Makefile.mingw64-cross
# src/MAKE/MACHINES/Makefile.mingw64-cross-mpi
# src/MAKE/MINE/Makefile.g++
# src/MAKE/Makefile.mpi
# src/MAKE/Makefile.serial
# src/Make.py
# src/Makefile
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2016-03-11 06:45:09 -05:00 |
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93af809806
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reduce 4 MPI tasks to 2 to for docker based TravisCI. try to use parallel make.
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2016-03-10 23:45:28 -05:00 |
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575daec08f
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try to disable MPI processor affinity in order to speed up running on oversubscribed virtual machines
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2016-03-10 23:12:35 -05:00 |
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e45ca540e0
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try different strategy to avoid unexpected deadlocks with MPI+OpenMP when oversubscribing build nodes.
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2016-03-10 22:47:18 -05:00 |
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dd738827fa
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fix parallel deadlock bug in dvd and xtc dumps with > 2^31 timesteps reported by chris macdermaid.
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2016-03-10 22:43:34 -05:00 |
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a946de0b03
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14738 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-10 16:57:36 +00:00 |
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7c9022e3d5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14737 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-10 16:56:40 +00:00 |
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f5ceb5b292
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14736 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-10 16:34:30 +00:00 |
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109b9bab28
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14735 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-10 16:31:34 +00:00 |
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f620bcc4f9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14734 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-10 16:30:39 +00:00 |
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c954b454ba
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disable another test that fails with 4xMPI+1xOpenMP
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2016-03-10 11:24:51 -05:00 |
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047c55383a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14732 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-10 16:13:43 +00:00 |
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