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c555f7e2ed
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update permissions
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2019-02-28 17:52:53 -05:00 |
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14e6c126a8
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Merge pull request #1314 from charlessievers/OptimizedDynamicalMatrix
add command to compute the Dynamical Matrix
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2019-02-28 17:08:36 -05:00 |
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7062bc862e
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remove third_order command and ASE based examples to be added in a new pull request
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2019-02-28 15:21:48 -05:00 |
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286112ffbc
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count each force computation as one simulation step. this avoids accessing uninitialized data, too.
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2019-02-28 11:00:55 -05:00 |
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326a97624e
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Merge pull request #1317 from ornladios/adios2-master
USER-ADIOS package with ADIOS 2.x
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2019-02-27 17:24:12 -05:00 |
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73401d02c0
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convert a couple of inputs from using pair style reax to reax/c
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2019-02-27 16:08:41 -05:00 |
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e6df92e65a
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Merge pull request #1011 from ellio167/kim-v2-update
KIM v2 update
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2019-02-21 20:06:59 -05:00 |
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3ad268739b
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Add dump adios to PDF build. Update example config with better documentation
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2019-02-20 17:02:48 -05:00 |
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2de01cef45
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Dump atom/adios and dump custom/adios command notifications
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2019-02-20 16:21:07 -05:00 |
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a4b9542ba9
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remove personal runconf file. cleanup ADIOS2 xml config file for example
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2019-02-20 09:02:24 -05:00 |
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410d79d8b7
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Add an example for USER/adios based on the balance example
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2019-02-20 09:02:24 -05:00 |
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35d2de298f
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added license information to all files
updated documentation
added example file
added graphene structure
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2019-02-15 18:49:23 -05:00 |
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4b8621e7ef
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Added additional tutorials for the dynamical matrix calculator
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2019-02-11 19:46:22 -08:00 |
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6068a719ff
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Updated example/kim/log.* files
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2019-02-06 23:53:47 -06:00 |
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d677335b23
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Merge remote-tracking branch 'lammps/master' into kim-v2-update
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2019-02-03 12:45:44 -06:00 |
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adebe90315
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Optimized Dynamical Matrix
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2019-02-01 21:55:29 -08:00 |
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7606529f03
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Merge pull request #1302 from akohlmey/combined-user-fep-soft-updates
Combined USER-FEP related updates
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2019-01-31 22:57:51 +01:00 |
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a93d8dda3c
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add example input and logfiles for using fix qeq/shielded with pair style reax/c
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2019-01-31 14:14:29 +01:00 |
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ccdfde4978
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Update example log file
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2019-01-30 15:16:35 +01:00 |
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536e34974a
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Merge branch 'soft_class2_potentials' of https://github.com/evoyiatzis/lammps into combined-user-fep-soft-updates
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2019-01-24 15:33:30 +01:00 |
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60b137f241
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Add examples for the USER-YAFF package
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2019-01-22 10:09:10 +01:00 |
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23ce00f366
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Merge remote-tracking branch 'lammps/master' into kim-v2-update
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2019-01-16 21:49:14 -06:00 |
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1dbdadcf89
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Add files via upload
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2019-01-14 09:53:10 +01:00 |
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7a4b6526de
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Create in.deletion
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2019-01-14 09:52:28 +01:00 |
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16b8c94aae
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Add files via upload
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2019-01-14 09:49:37 +01:00 |
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62b4c69360
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Create in.insertion
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2019-01-14 09:48:40 +01:00 |
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261122d59c
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Update README
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2019-01-14 09:43:13 +01:00 |
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7323179de3
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rename pair style lebedeva to lebedeva/z to be consistent with kolmolgorov/crespi/z
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2019-01-03 17:30:16 -05:00 |
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6c0b100a53
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Merge branch 'master' into kim-v2-update
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2018-12-16 15:56:33 -06:00 |
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b068690e13
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Update for kim-api beta.3 release
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2018-12-12 16:21:54 -06:00 |
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96c7f256f9
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Merge branch 'snap-foundtest' of https://github.com/athomps/lammps into collected-post-stable-patches
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2018-12-12 00:16:36 -05:00 |
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02bdda0d05
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Merge branch 'remove-reax-meam' into collected-post-stable-patches
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2018-12-12 00:14:58 -05:00 |
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be3c80829a
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Merge branch 'collected-small-changes' into collected-post-stable-patches
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2018-12-12 00:14:41 -05:00 |
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0a610cb482
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Merge branch 'sllod' into collected-post-stable-patches
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2018-12-12 00:14:33 -05:00 |
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d15e4b1546
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Merge branch 'master' into remove-reax-meam
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2018-12-11 23:31:48 -05:00 |
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bbe863f1ac
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add input for controlling a wall for a slab
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2018-12-11 05:43:19 -05:00 |
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eeaeab0832
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add example for using fix controller with a moving wall to adjust pressure
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2018-12-11 05:31:12 -05:00 |
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0b5c273e2d
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update examples for removal of reax and meam
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2018-12-10 15:16:34 -05:00 |
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b6b813459b
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update example logfiles for USER-DRUDE package
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2018-12-10 11:04:52 -05:00 |
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998a512143
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update log files for USER-UEF
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2018-12-07 10:19:34 -05:00 |
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e61b553bb3
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update USER-MOFF log files
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2018-12-07 05:54:02 -05:00 |
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20eca799b1
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update log files for USER-DIFFRACTION package
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2018-12-07 05:50:39 -05:00 |
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8ce60d8761
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update USER-CGSDK and USER-COLVARS log files
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2018-12-07 05:03:26 -05:00 |
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685a8bfc62
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update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA
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2018-12-07 04:32:46 -05:00 |
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cd0924ca4c
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add log files for USER-AWPMD examples
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2018-12-07 03:49:46 -05:00 |
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18f7e96e8a
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update log files for USER-PLUMED examples
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2018-12-06 19:07:36 -05:00 |
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e01ba84fd2
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update log files for USER-SCAFACOS
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2018-12-06 19:01:20 -05:00 |
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fa7e02ea71
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Removed redundant element list from pair_coeff snap syntax
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2018-12-03 20:28:01 -07:00 |
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55077cea4d
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Merge branch 'lebedeva2' of https://github.com/zbych127/lammps into collected-post-stable-patches
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2018-12-03 15:24:31 -05:00 |
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5d2730f055
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update log files for rigid, shear, snap, srd, streitz, threebody, vashsista, and voronoi examples
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2018-11-29 18:22:18 -05:00 |
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