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cb4ffaf95c
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update docs and references for name changes in USER-MOP package, remove obsoleted files
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2018-09-04 08:42:32 -04:00 |
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a797a0d193
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changed computes names to stress/mop and stress/mop/profile
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2018-09-04 14:02:19 +02:00 |
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f6f4b58167
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add parallel reference output
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2018-09-03 23:42:52 -04:00 |
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7b423c6d4b
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integrate USER-MOP package into build and documentat system. apply latest LAMMPS programming style conventions
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2018-09-03 23:37:25 -04:00 |
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9e03bf7db9
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make USER-DIFFRACTION input example fully consistent with output and remove additional input file
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2018-09-01 19:12:46 -04:00 |
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c23534019c
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fixed typo in example file name
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2018-08-21 17:28:42 -06:00 |
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e08aaa7e39
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added examples for P3M with ScaFaCoS
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2018-08-08 15:03:47 -06:00 |
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2a5e550bda
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updated log files
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2018-08-08 15:02:19 -06:00 |
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7f5476b408
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removed deprecated log files (will be replaced with more current ones)
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2018-08-08 14:04:41 -06:00 |
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cdde51d8af
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fixed example so that P3M also works, changed tolerance type in the FMM example
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2018-08-07 14:29:04 -06:00 |
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463e34cef5
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Merge remote-tracking branch 'origin/master' into HEAD
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2018-08-03 08:13:12 -06:00 |
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c8be5a3f2d
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change ave/histo to ave/histo/weight
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2018-08-01 11:11:18 +02:00 |
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ae2d43031b
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added pressure output, to compare results with global virial (with internal PPPM)
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2018-07-23 16:25:02 -06:00 |
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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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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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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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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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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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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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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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e550f5120b
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Updated docs
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2018-05-22 12:44:40 +02:00 |
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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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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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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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ed3f8d4b3f
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Update methanol.lmp
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2018-05-02 11:28:44 -04:00 |
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c5e884fb41
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USER-BOCS
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2018-04-26 09:34:47 -04:00 |
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5a341bee09
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minor cleanup in docs and updated log files for kolmogorov/crespi/full
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2018-03-23 06:42:04 -04:00 |
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c398eb6b57
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update kolmogorov-crespi examples
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2018-03-22 19:42:07 -04:00 |
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8de7c449fc
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refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples.
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2018-03-22 19:31:41 -04:00 |
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6415befb5b
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Add more examples
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2018-03-14 16:30:54 +02:00 |
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bbb2a6d641
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Finally updated the github tutorial
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2018-03-13 17:43:25 +02:00 |
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52446eed6d
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make fix bond/react example inputs more similar to other input examples in LAMMPS
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2018-03-03 19:34:31 -05:00 |
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3b90f60064
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Merge pull request #3 from lammps/master
rebase
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2018-02-24 23:49:27 -07:00 |
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7d1de34533
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gatherv fix, doc updates
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2018-02-24 22:49:28 -07:00 |
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3787b89447
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re-add compressed data file (was hidden by .gitignore)
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2018-02-22 02:31:25 -05:00 |
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daae906162
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move fix bond/react examples and compress large data file
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2018-02-21 10:30:35 +01:00 |
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