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260 Commits

Author SHA1 Message Date
Steve Plimpton a7c9418629
Merge pull request #890 from jrgissing/bond_react_final_touches 
bond/react final touches
 2018-05-07 10:37:47 -06:00
Axel Kohlmeyer 9d9d7cb9ed update example log files 2018-05-06 11:10:40 -04:00
jrgissing 916ed71760 fix bond/react final touches 2018-05-06 00:34:03 -06:00
Axel Kohlmeyer f9f8e2bdbe update USER-BOCS example to match LAMMPS style and include reference logs 2018-05-05 11:43:05 -04:00
Axel Kohlmeyer 735bceb468 Merge branch 'master' into USER-BOCS 2018-05-05 10:21:21 -04:00
Axel Kohlmeyer 81293b0fda changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style 2018-05-05 10:21:11 -04:00
Steve Plimpton eeee2d3026
Merge pull request #803 from jrgissing/fix_bond_react 
Fix bond react
 2018-05-03 14:16:46 -06:00
Axel Kohlmeyer 53cc609c4c make filenames comply with LAMMPS conventions and add reference log files 2018-05-03 16:03:37 -04:00
Michael DeLyser ed3f8d4b3f
Update methanol.lmp 2018-05-02 11:28:44 -04:00
MICHAEL ROBERT DELYSER c5e884fb41 USER-BOCS 2018-04-26 09:34:47 -04:00
Axel Kohlmeyer 5a341bee09 minor cleanup in docs and updated log files for kolmogorov/crespi/full 2018-03-23 06:42:04 -04:00
Axel Kohlmeyer c398eb6b57 update kolmogorov-crespi examples 2018-03-22 19:42:07 -04:00
Axel Kohlmeyer 8de7c449fc refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples. 2018-03-22 19:31:41 -04:00
oywg11 6415befb5b Add more examples 2018-03-14 16:30:54 +02:00
oywg11 bbb2a6d641 Finally updated the github tutorial 2018-03-13 17:43:25 +02:00
Axel Kohlmeyer 52446eed6d make fix bond/react example inputs more similar to other input examples in LAMMPS 2018-03-03 19:34:31 -05:00
Jacob Gissinger 3b90f60064
Merge pull request #3 from lammps/master 
rebase
 2018-02-24 23:49:27 -07:00
jrgissing 7d1de34533 gatherv fix, doc updates 2018-02-24 22:49:28 -07:00
Axel Kohlmeyer 3787b89447 re-add compressed data file (was hidden by .gitignore) 2018-02-22 02:31:25 -05:00
Axel Kohlmeyer daae906162 move fix bond/react examples and compress large data file 2018-02-21 10:30:35 +01:00
Steven J. Plimpton c399b75dec 2nd try on LATTE error returns, plus a couple minor doc edits 2018-02-20 12:52:12 -07:00
Axel Kohlmeyer a6eb521468 strip off unwanted ^M characters 2018-02-09 17:32:32 +01:00
Axel Kohlmeyer 3e0cb9b463 rename examples to match usual naming conventions and add reference output. 2018-02-01 18:56:10 +01:00
Hendrik Heenen f7e2bf239f Added MOF-FF src, doc and example files 2018-01-21 11:40:48 +01:00
Axel Kohlmeyer 5647522906 various small cosmetic adjustments to increase conformance with LAMMPS programming conventions 2017-11-28 12:34:23 -05:00
Jaap Kroes 5770a20e2c added ExTeP to USER-MISC 2017-11-27 21:16:51 +01:00
Steve Plimpton 281b1dc375 small updates to recently added docs and rename of an example dir 2017-10-18 14:56:47 -06:00
Steve Plimpton e93f8f8889 Merge pull request #671 from danicholson/user-uef 
USER-UEF package for extensional flow
 2017-10-18 13:38:56 -06:00
Ulf R. Pedersen 957263431a Ensure consistency with documentation 2017-10-04 09:38:43 +02:00
Axel Kohlmeyer f07719e924 make fix rhok examples more consistent with LAMMPS conventions: 
- move example folder to examples/USER/misc/
- comment out writing of trajectory files
- reduce run length (for easier testing for regressions)
- record example outputs for 1 and 4 MPI processes
- rename readme.md to README.md for visibility
 2017-10-03 10:08:38 -04:00
Ulf R. Pedersen 5f527091b8 Update readme.md 2017-10-03 12:02:01 +02:00
Ulf R. Pedersen 30aaa7e47b Update readme.md 2017-10-03 12:00:43 +02:00
Ulf R. Pedersen 74dcf0bf9b Update readme.md 2017-10-03 11:54:46 +02:00
Ulf R. Pedersen e9b07a7a10 Update readme.md 2017-10-03 11:52:48 +02:00
Ulf R. Pedersen fd8f5f8f9e Update readme.md 2017-10-03 11:52:08 +02:00
Ulf R. Pedersen 5c59eb637b Update readme.md 2017-10-03 11:49:57 +02:00
Ulf R. Pedersen 250ef9f837 Update readme.md 2017-10-03 11:46:08 +02:00
Ulf R. Pedersen e44f370d49 Update readme.md 2017-10-03 11:44:52 +02:00
Ulf R. Pedersen 1e790fbafe Update readme.md 
Now use the standard namings.
Corrected spelling errors.
 2017-10-03 11:44:23 +02:00
Ulf R. Pedersen 35cc795972 Update in.setup 2017-10-03 11:17:43 +02:00
Ulf R. Pedersen 245bf74552 Rename setup.lmp to in.setup 2017-10-03 11:16:54 +02:00
Ulf R. Pedersen 7e8bbe8481 Rename pinning.lmp to in.pinning 2017-10-03 11:16:29 +02:00
Ulf R. Pedersen e6d687faac Rename crystal.lmp to in.crystal 2017-10-03 11:15:49 +02:00
David Nicholson 1dffb0cf82 reran npt_biaxial examples 2017-10-02 23:27:10 -04:00
Axel Kohlmeyer 00aef0fe00 rerun logfiles for USER-UEF example inputs 2017-10-02 17:40:46 -04:00
David Nicholson 4ef63feea7 reran examples 2017-09-29 15:50:31 -04:00
David Nicholson 855b6000ef initial commit. doc is in the works 2017-09-28 16:34:18 -04:00
Ulf R. Pedersen f1aea57e30 Update readme.md 2017-09-25 18:48:21 +02:00
Ulf R. Pedersen b35f2ff8b4 Example of Interface Pinning Computation 2017-09-25 18:44:24 +02:00
Ulf R. Pedersen 3381a43378 Added readme.m 2017-09-21 16:20:06 +02:00