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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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2f55981224
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new MESSAGE package for client/server/coupling
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2018-07-23 15:58:33 -06:00 |
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6ab93b52bc
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Merge remote-tracking branch 'lammps/master' into kim-v2-update
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2018-07-23 09:30:43 -05:00 |
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5c21d2aff9
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Merge pull request #962 from ndtrung81/body-dem
Discrete element models for the BODY package
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2018-07-20 14:37:41 -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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843b96e8dd
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more changes to new polygon/hedron docs and command names
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2018-07-18 08:49:42 -06:00 |
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d4385ade15
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more changes to ATM source and doc file
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2018-07-16 11:22:22 -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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b461967e91
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Updated documentation and source
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2018-07-13 20:45:06 +01:00 |
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bf5fbc92df
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Updated documentation and source
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2018-07-13 20:18:53 +01:00 |
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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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c442166ded
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Tidied up example directory for PLUMED
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2018-07-12 16:22:40 +01:00 |
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6d9face1ec
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Added documentation describing PLUMED package installation
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2018-07-12 12:26:09 +01:00 |
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3e73418601
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Updated example/kim log files
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2018-07-11 15:09:58 -07:00 |
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fcec1498e3
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update input example scripts for pair_kim
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2018-07-11 15:09:58 -07:00 |
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7eeb96f1af
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Update pair_kim to work with new neig. list Hints
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2018-07-11 15:09:58 -07:00 |
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0264e044e2
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Update example/kim input files
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2018-07-11 15:09:58 -07:00 |
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5bdc295331
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Add skin to pair_kim neigh-list cutoffs & update docs
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2018-07-11 15:09:58 -07:00 |
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68ec8822ee
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Update example/kim/log.*
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2018-07-11 15:09:58 -07:00 |
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955fe583d8
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Updated docs for new pair_kim
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2018-07-11 15:09:57 -07:00 |
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4d5635a3c4
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Fixed virial contribution from PLUMED
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2018-07-10 16:01:45 +01:00 |
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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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13338bf8cb
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small changes to Trung body files
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2018-07-09 16:15:15 -06:00 |
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3a824b3a4b
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mods to Sergey's files
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2018-07-09 14:16:46 -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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7260bb58e1
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Added Axilrod-Teller manybody potential
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2018-07-04 11:03:30 +01:00 |
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7f5a83cb1d
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Added first go at checks on PLUMED interface to LAMMPS
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2018-07-02 17:04:19 +01:00 |
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b299bfa821
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Started adding tests on PLUMED interface
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2018-07-02 13:58:38 +01:00 |
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2c5f2a6683
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Added running example of PLUMED + LAMMPS
Not sure if this has been done correctly. I add both the input and the output
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2018-07-02 10:22:23 +01:00 |
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9b44529591
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Added an example
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2018-06-29 17:46:51 +01:00 |
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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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