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fa73fab5df
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patch 16Jul18
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2018-07-16 18:12:15 -06:00 |
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c589029219
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Merge pull request #1002 from rbberger/set_velocity_command
Allow 'set' command to change atom velocities
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2018-07-16 08:50:15 -06:00 |
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1c007ce7a1
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Merge pull request #1000 from HaoZeke/fixDocs
docs: Fix sneaky unicode character
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2018-07-16 08:49:13 -06:00 |
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5fc4aaef06
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Merge pull request #940 from Pakketeretet2/port-enforce2d-kokkos
Port enforce2d kokkos
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2018-07-16 08:48:21 -06:00 |
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aa3d3213c9
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Update set command documentation
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2018-07-13 23:06:42 -04:00 |
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d4f8940ff2
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Update command doc page for Kokkos enforce2d
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2018-07-13 07:40:06 -06:00 |
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85511a4db8
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docs: Fix sneaky unicode character
Fixes the `pdf` target of the `Makefile`.
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2018-07-13 00:44:04 +05:30 |
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b31f0245d0
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2 small bug fixes to load balancing
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2018-07-11 15:55:16 -06:00 |
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5d13321425
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Standardize suffix paragraph in fix_enforce2d.txt
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2018-07-11 12:15:50 -06:00 |
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acdc240cdd
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better rRESPA doc page, also a new Makefile.theta
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2018-07-11 08:42:28 -06:00 |
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ade9b7bfc3
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Commit2 JT 070918
- modified the citeme reference (replaced by the JCP one)
- same modification in doc and src/SPIN
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2018-07-10 09:44:14 -04:00 |
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9d5dc561ca
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Commit1 JT 070918
- created README in examples/SPIN
- modified doc/src/set.txt to define 'spin' and 'spin/random' keywords
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2018-07-10 09:44:14 -04:00 |
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199c96f985
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update and clarify the choice of atom ids for angle style dipole (which is not really an angle potential)
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2018-07-10 09:22:41 -04:00 |
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a52ddf8759
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patch 29Jun18
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2018-06-30 08:03:24 -06:00 |
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ea35235ca0
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couple more doc tweaks - sigh
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2018-06-29 16:12:25 -06:00 |
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d2dd76e655
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added SPIN package to Section_packages doc
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2018-06-29 14:56:27 -06:00 |
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6900f9edf9
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Merge branch 'master' into collected-small-changes
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2018-06-29 14:59:02 -04:00 |
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ec99b0957c
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new ARM makefiles, also some doc tweaks
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2018-06-29 08:06:51 -06:00 |
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6bd5a3d69b
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Merge pull request #935 from julient31/spin_origin
Spin origin
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2018-06-27 16:58:27 -06:00 |
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264f832b18
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fix formatting of dump_modify docs
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2018-06-27 07:58:57 -04:00 |
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8e14143908
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Merge pull request #925 from PabloPiaggi/pair_entropy
Pair entropy fingerprint
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2018-06-26 13:16:09 -06:00 |
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e2622f0230
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Remap the paragraph
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2018-06-26 17:27:55 +03:00 |
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e4dd6dec40
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Refine the documentation
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2018-06-26 16:36:16 +03:00 |
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c9d147c366
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New paramteters for potential #839
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2018-06-26 11:09:48 +03:00 |
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86519ce213
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Rename compute to entropy/atom
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2018-06-24 00:25:07 +02:00 |
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d237625d2a
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patch 22Jun18
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2018-06-22 14:08:09 -06:00 |
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510834cb7b
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Merge pull request #960 from lammps/latte-tweak
made latte.in compatible with v1.1.1 and updated log files
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2018-06-22 10:18:19 -06:00 |
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f5f73b0172
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Merge pull request #958 from ndtrung81/gpu-updates
Bug fixes and updates to the GPU package
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2018-06-22 08:52:20 -06:00 |
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cbfb751e92
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made latte.in compatible with v1.1.1 and updated log files
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2018-06-21 11:10:29 -06:00 |
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a9b794b2ab
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Updates to the core-shell gpu pair styles
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2018-06-20 10:43:13 -05:00 |
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d4861e71d2
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integrate SPIN package into documentation, fix links and make it consistent
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2018-06-18 18:36:30 -04:00 |
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605b4dca22
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fix overlooked merge conflict
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2018-06-18 18:09:59 -04:00 |
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dade67664d
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restore bugfix for refrences
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2018-06-18 18:07:26 -04:00 |
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93d6510d34
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restore deleted file
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2018-06-18 18:02:40 -04:00 |
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4f8d1893e9
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restore fix for formatting cleanup
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2018-06-18 18:01:28 -04:00 |
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7c7a80b31a
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restore deleted file
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2018-06-18 17:59:22 -04:00 |
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03a7d1cd5d
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Merge pull request #933 from rtoijala/fix_dt_reset_energy
Limit atom energy change in fix dt/reset
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2018-06-18 13:43:03 -06:00 |
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08331da93d
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Merge pull request #950 from martok/subst-equal-fmt
Add support for inline format strings to immediate variable substitution
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2018-06-18 13:42:24 -06:00 |
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ab0f3debeb
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Merge pull request #948 from martok/variable-string
Variable style 'string' substitutes variables in definition
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2018-06-18 10:50:36 -06:00 |
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c4bcb7e73d
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mention requirement to come after the box creation in Restrictions section
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2018-06-15 17:52:54 -04:00 |
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18b543179c
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fix typo
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2018-06-15 17:47:23 -04:00 |
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14c4438a72
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update docs to reflect the state of reserving space for topology info with molecule files
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2018-06-15 17:46:09 -04:00 |
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5fcdfe6dcb
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describe the use of wildcards for adapting ranges of bond types
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2018-06-15 17:35:43 -04:00 |
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8a2faff541
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integrate compute pentropy/atom into the documentation tree
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2018-06-15 16:40:25 -04:00 |
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c5b51df06e
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Add support for inline format strings to immediate variable substitution
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2018-06-14 14:17:37 +02:00 |
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3e79296dcf
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Variable style 'string' substitutes variables in definition
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2018-06-14 13:10:08 +02:00 |
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962946ee45
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Ported fix enforce2d to Kokkos.
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2018-06-01 14:52:34 -04:00 |
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56c3a0be29
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support virtualenv on machines with python3 where it is called virtualenv-3
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2018-05-31 19:03:28 -04:00 |
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cf3095e938
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document restartinfo bug message, add check to Pair::write_restart as well
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2018-05-31 19:02:03 -04:00 |
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38182dcc60
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clarify docs on what energy is monitored
changes to the energy only consider the kinetic energy, so make that explicit in the augmented `fix dt/reset` docs
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2018-05-31 17:32:19 -04:00 |
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