e4c6c46b4c
Commit JT 010318 (before APS)
2018-04-26 15:21:41 -06:00
7990826ca2
Commit JT 021518
2018-04-26 15:21:41 -06:00
fa499ff95d
Commit JT 021318
2018-04-26 15:21:41 -06:00
86cfbb3010
Delete in.spin.read_data
2018-04-26 15:15:16 -06:00
f409f4ff53
Commit JT 021318
2018-04-26 15:02:15 -06:00
eab737a45c
Delete Co_PurjaPun_2012.eam.alloy
2018-04-26 15:01:43 -06:00
b422480002
Commit JT 021318
2018-04-26 15:01:43 -06:00
3d18f55155
commit JT 020818
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- adding files for doc and reorg.
2018-04-26 15:01:43 -06:00
6490ee46b7
Commit JT 020618
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- Documentation
- Memory leaks solved
2018-04-26 14:58:43 -06:00
642c8f9859
Commit JT 020518
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Begin work documentation
2018-04-26 14:58:43 -06:00
755bda2275
Commit JT 020118
2018-04-26 14:58:43 -06:00
05a7e5011f
Commit JT 012318
2018-04-26 14:58:43 -06:00
3abb7f0eaf
Commit JT 011718
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Correction bug in fix/integration/spin
2018-04-26 14:58:43 -06:00
5b93fc6a27
Commit JT 011617
2018-04-26 14:58:43 -06:00
1e096d77ef
Commit JT 011518
2018-04-26 14:58:43 -06:00
38e940a392
beautyfy shell script
2018-04-26 14:58:43 -06:00
7cc62f4234
minor updates on examples/SPIN
2018-04-26 14:58:43 -06:00
01f378d265
minor updates on examples/SPIN
2018-04-26 14:58:43 -06:00
ab200cff06
- linked list in the integration algorithm
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- new version of the coord2sector function
- possible to read_data a spin .data file
2018-04-26 14:58:43 -06:00
5fe0b0a2cc
Delete in.cobalt_dev
2018-04-26 14:58:42 -06:00
6df54ac3ec
Delete in.cobalt_SD
2018-04-26 14:58:42 -06:00
1e9d91bd8f
Delete in.co_magnetomech
2018-04-26 14:58:42 -06:00
749336ae1f
Delete in.kagome
2018-04-26 14:58:42 -06:00
148d26d943
Delete in.cobalt
2018-04-26 14:58:42 -06:00
2bfd30f7d7
Delete in.BFO
2018-04-26 14:58:42 -06:00
f4bb33de4b
Memory corrections
2018-04-26 14:58:42 -06:00
49f0a7a89a
New MPI algorithm (still to be checked)
2018-04-26 14:58:42 -06:00
f1182df776
Commit MPI algorithm
2018-04-26 14:58:42 -06:00
1828274a99
new vmd shell to prepare vmd runs
2018-04-26 14:58:42 -06:00
813343928a
moving files into proper directories
2018-04-26 14:58:42 -06:00
f5ff30df83
Changes for coupling magnetomech:
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- hybrid_overlay friend with fix_nve_spin
- modif of the allocation of pair classes in fix_nve_spin
- modif input file for hybrid/overlay eam - spin/pair
- new file for cobalt eam potentials
2018-04-26 14:58:41 -06:00
45ea7b3cc7
First version of the spin tutorial (2)
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Examples (example/SPIN), for BFO and Co
2018-04-26 14:58:41 -06:00
c5e884fb41
USER-BOCS
2018-04-26 09:34:47 -04:00
4fa95de91c
update logfiles for gcmc example inputs
2018-04-04 12:33:48 -04:00
24e0ca5377
avoid warning about group all
2018-04-04 12:28:20 -04:00
d1356c1d76
Made ndof dynamic for temperature fixes and computes
2018-04-03 15:07:04 -06:00
5a341bee09
minor cleanup in docs and updated log files for kolmogorov/crespi/full
2018-03-23 06:42:04 -04:00
c398eb6b57
update kolmogorov-crespi examples
2018-03-22 19:42:07 -04:00
8de7c449fc
refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples.
2018-03-22 19:31:41 -04:00
6415befb5b
Add more examples
2018-03-14 16:30:54 +02:00
bbb2a6d641
Finally updated the github tutorial
2018-03-13 17:43:25 +02:00
fcfbdb13ab
provide new reference outputs for various reaxff examples
2018-03-08 18:10:28 -05:00
52446eed6d
make fix bond/react example inputs more similar to other input examples in LAMMPS
2018-03-03 19:34:31 -05:00
3b90f60064
Merge pull request #3 from lammps/master
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rebase
2018-02-24 23:49:27 -07:00
7d1de34533
gatherv fix, doc updates
2018-02-24 22:49:28 -07:00
3787b89447
re-add compressed data file (was hidden by .gitignore)
2018-02-22 02:31:25 -05:00
aa1503b7e0
Merge pull request #800 from athomps/fix_gcmc_segfault_fix
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Added warning to discourage use of group all and fixed some segfault …
2018-02-21 09:50:22 -07:00
daae906162
move fix bond/react examples and compress large data file
2018-02-21 10:30:35 +01:00
c399b75dec
2nd try on LATTE error returns, plus a couple minor doc edits
2018-02-20 12:52:12 -07:00
a04a975d3a
add large nylon example for parallel validation, reformat doc page
2018-02-11 17:35:47 -07:00
