9d9d7cb9ed
update example log files
2018-05-06 11:10:40 -04:00
916ed71760
fix bond/react final touches
2018-05-06 00:34:03 -06:00
f9f8e2bdbe
update USER-BOCS example to match LAMMPS style and include reference logs
2018-05-05 11:43:05 -04:00
735bceb468
Merge branch 'master' into USER-BOCS
2018-05-05 10:21:21 -04:00
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
c9d41178d8
update logfiles and adjust some example inputs to be consistent
2018-05-03 23:37:01 -04:00
eeee2d3026
Merge pull request #803 from jrgissing/fix_bond_react
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Fix bond react
2018-05-03 14:16:46 -06:00
53cc609c4c
make filenames comply with LAMMPS conventions and add reference log files
2018-05-03 16:03:37 -04:00
b5b70b429f
update log files for SNAP package examples to reflect current state of keywords.
2018-05-03 13:00:24 -04:00
ed3f8d4b3f
Update methanol.lmp
2018-05-02 11:28:44 -04:00
392816a807
Commit JT 042418
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- adding the README
- some corrects pair_spin*.cpp/h
2018-04-26 15:26:31 -06:00
1b8669c620
Commit JT 042018, new spin/precession and pair/spin (peru virtual)
2018-04-26 15:26:31 -06:00
ce80d1a3ea
Commit JT 041618
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Enabling multiple exchange interactions
2018-04-26 15:26:31 -06:00
8709f6044b
Commit modifs before release 2 (04/02/18)
2018-04-26 15:26:31 -06:00
a315599bac
Commit modifs before release 1 (03/26/18)
2018-04-26 15:26:31 -06:00
08bc115380
Commit before meeting 032218
2018-04-26 15:26:13 -06:00
65b7e43a91
Examples and docs
2018-04-26 15:25:23 -06:00
2a3b93ca3d
First commits last version doc
2018-04-26 15:21:41 -06:00
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
