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a90e019ec7
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updated ScaFaCoS examples, added open-boundary Hammersley distributed sphere and charged cloud near a charged wall examples
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2018-07-23 16:13:15 -06:00 |
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5c934cdb6f
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fixed examples to work with charged molecular restriction and new kspace call format
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2018-07-20 10:40:29 -06:00 |
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b0c9fde1dd
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more changes from Steve
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2018-07-18 15:32:03 -06:00 |
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e7f4e059cf
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convert to KSspace style rather than fix
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2018-07-13 16:46:06 -06:00 |
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cdf091f228
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fixed an error in the scafacos example (added missing keyword tolerance)
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2018-07-13 08:37:29 -06:00 |
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f698e37bf2
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merged latest version of CMakeLists.txt with custom one (adding USER-SCAFACOS)
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2018-07-09 13:41:35 -06:00 |
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400ae72267
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added tolerance to the example
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2018-07-09 13:18:28 -06:00 |
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b259de95d2
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fix for ScaFaCoS library
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2018-07-09 13:00:52 -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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8e77be0848
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Merge pull request #967 from lammps/latte-tweak2
small changes to last LATTE PR, including xControl to upper case
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2018-06-27 16:44:25 -06:00 |
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d3b83885d1
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make SPIN package examples consistent with other examples and add reference logs
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2018-06-27 14:06:56 -04:00 |
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244963aa19
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fix incorrect scaling of emag bug
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2018-06-27 12:29:34 -04:00 |
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6008cee6aa
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...and replace with symbolic links
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2018-06-26 16:02:56 -04:00 |
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f33a2c982c
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remove redundant potential files
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2018-06-26 16:01:54 -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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f36e1a2cdc
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Changed default deltabin from 2 to 3
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2018-06-26 13:06:04 +02:00 |
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49a91db0b2
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small changes to last LATTE PR, including xControl to upper case
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2018-06-25 17:43:31 -06:00 |
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5e48565761
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Merge pull request #961 from cnegre/newsystem
Added newsystem flag to be passed to latte
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2018-06-25 17:20:57 -06:00 |
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06b3209ad8
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Commit JT 062518
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2018-06-25 09:56:39 -06:00 |
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9108306c11
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Shorter entropy/atom example
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2018-06-24 00:36:09 +02:00 |
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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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dc132c8bf1
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Added newsystem flag to be passed to latte
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2018-06-21 15:40:20 -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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37b901eadb
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Added boxrel example and simplified latte.in
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2018-06-19 11:12:28 -06:00 |
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4a88f53d22
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adjust input files for changed paths
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2018-06-18 19:17:25 -04:00 |
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b2e6863d93
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add reference log file.
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2018-06-15 17:01:26 -04:00 |
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6457e5eedb
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Commit1 JT 052918 modifs files
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2018-05-29 14:51:21 -06:00 |
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5f0e6d0aa7
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Commit JT2 052418
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2018-05-24 12:55:39 -06:00 |
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e550f5120b
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Updated docs
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2018-05-22 12:44:40 +02:00 |
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1641f78e3e
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Merge from lammps master
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2018-05-21 16:06:53 -06:00 |
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1f193e02e0
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update to c++ style include header syntax
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2018-05-21 16:49:00 -04:00 |
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124641dc8a
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Examples - new local option
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2018-05-18 15:13:48 +02:00 |
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437e854741
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Commit JT 051118 before CEA
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2018-05-11 15:24:26 -06:00 |
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7fed6c7e4c
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Merge pull request #634 from craabreu/master
Computation of forces/torques on rigid bodies moved to post_force
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2018-05-07 14:39:10 -06:00 |
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d203118286
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update rigid body reference outputs. add bodyforces early examples
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2018-05-07 14:19:50 -04:00 |
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a7c9418629
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Merge pull request #890 from jrgissing/bond_react_final_touches
bond/react final touches
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2018-05-07 10:37:47 -06:00 |
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9d9d7cb9ed
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update example log files
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2018-05-06 11:10:40 -04:00 |
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916ed71760
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fix bond/react final touches
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2018-05-06 00:34:03 -06:00 |
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f9f8e2bdbe
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update USER-BOCS example to match LAMMPS style and include reference logs
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2018-05-05 11:43:05 -04:00 |
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735bceb468
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Merge branch 'master' into USER-BOCS
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2018-05-05 10:21:21 -04:00 |
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81293b0fda
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changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style
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2018-05-05 10:21:11 -04:00 |
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c9d41178d8
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update logfiles and adjust some example inputs to be consistent
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2018-05-03 23:37:01 -04:00 |
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eeee2d3026
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Merge pull request #803 from jrgissing/fix_bond_react
Fix bond react
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2018-05-03 14:16:46 -06:00 |
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53cc609c4c
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make filenames comply with LAMMPS conventions and add reference log files
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2018-05-03 16:03:37 -04:00 |
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b5b70b429f
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update log files for SNAP package examples to reflect current state of keywords.
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2018-05-03 13:00:24 -04:00 |
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ed3f8d4b3f
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Update methanol.lmp
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2018-05-02 11:28:44 -04:00 |
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392816a807
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Commit JT 042418
- adding the README
- some corrects pair_spin*.cpp/h
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2018-04-26 15:26:31 -06:00 |
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1b8669c620
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Commit JT 042018, new spin/precession and pair/spin (peru virtual)
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2018-04-26 15:26:31 -06:00 |
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ce80d1a3ea
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Commit JT 041618
Enabling multiple exchange interactions
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2018-04-26 15:26:31 -06:00 |
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8709f6044b
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Commit modifs before release 2 (04/02/18)
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2018-04-26 15:26:31 -06:00 |
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