c23534019c
fixed typo in example file name
2018-08-21 17:28:42 -06:00
e08aaa7e39
added examples for P3M with ScaFaCoS
2018-08-08 15:03:47 -06:00
2a5e550bda
updated log files
2018-08-08 15:02:19 -06:00
7f5476b408
removed deprecated log files (will be replaced with more current ones)
2018-08-08 14:04:41 -06:00
74633ce28f
fixed merge conflict
2018-08-08 09:53:27 -06:00
cdde51d8af
fixed example so that P3M also works, changed tolerance type in the FMM example
2018-08-07 14:29:04 -06:00
5789ef9128
bug-fix for slope() function in variable
2018-08-03 10:08:02 -06:00
463e34cef5
Merge remote-tracking branch 'origin/master' into HEAD
2018-08-03 08:13:12 -06:00
d877a12e0c
Merge branch 'fix_xrd_histo' of https://github.com/king-michael/lammps into collected-small-fixes
2018-08-01 13:57:56 +02:00
c8be5a3f2d
change ave/histo to ave/histo/weight
2018-08-01 11:11:18 +02:00
28993d9823
Commit JT 072618
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- improvements documentation (dmi and exchange)
- correction error cross product in pair_spin_dmi.cpp
- implementation mech. part in pair_spin_dmi.cpp
- correction in all pairs: init_one for [j][i] couples
- correction in atom_vec_spin.cpp: index error in read_data
- some improvements in pair_spin_dmi.cpp and pair_spin_magelec.cpp
2018-07-27 12:00:15 +02:00
ae2d43031b
added pressure output, to compare results with global virial (with internal PPPM)
2018-07-23 16:25:02 -06:00
a90e019ec7
updated ScaFaCoS examples, added open-boundary Hammersley distributed sphere and charged cloud near a charged wall examples
2018-07-23 16:13:15 -06:00
5c21d2aff9
Merge pull request #962 from ndtrung81/body-dem
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Discrete element models for the BODY package
2018-07-20 14:37:41 -06:00
5c934cdb6f
fixed examples to work with charged molecular restriction and new kspace call format
2018-07-20 10:40:29 -06:00
b0c9fde1dd
more changes from Steve
2018-07-18 15:32:03 -06:00
843b96e8dd
more changes to new polygon/hedron docs and command names
2018-07-18 08:49:42 -06:00
e7f4e059cf
convert to KSspace style rather than fix
2018-07-13 16:46:06 -06:00
cdf091f228
fixed an error in the scafacos example (added missing keyword tolerance)
2018-07-13 08:37:29 -06:00
9d5dc561ca
Commit1 JT 070918
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- created README in examples/SPIN
- modified doc/src/set.txt to define 'spin' and 'spin/random' keywords
2018-07-10 09:44:14 -04:00
13338bf8cb
small changes to Trung body files
2018-07-09 16:15:15 -06:00
f698e37bf2
merged latest version of CMakeLists.txt with custom one (adding USER-SCAFACOS)
2018-07-09 13:41:35 -06:00
400ae72267
added tolerance to the example
2018-07-09 13:18:28 -06:00
b259de95d2
fix for ScaFaCoS library
2018-07-09 13:00:52 -06:00
6bd5a3d69b
Merge pull request #935 from julient31/spin_origin
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Spin origin
2018-06-27 16:58:27 -06:00
8e77be0848
Merge pull request #967 from lammps/latte-tweak2
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small changes to last LATTE PR, including xControl to upper case
2018-06-27 16:44:25 -06:00
d3b83885d1
make SPIN package examples consistent with other examples and add reference logs
2018-06-27 14:06:56 -04:00
244963aa19
fix incorrect scaling of emag bug
2018-06-27 12:29:34 -04:00
6008cee6aa
...and replace with symbolic links
2018-06-26 16:02:56 -04:00
f33a2c982c
remove redundant potential files
2018-06-26 16:01:54 -04:00
8e14143908
Merge pull request #925 from PabloPiaggi/pair_entropy
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Pair entropy fingerprint
2018-06-26 13:16:09 -06:00
f36e1a2cdc
Changed default deltabin from 2 to 3
2018-06-26 13:06:04 +02:00
49a91db0b2
small changes to last LATTE PR, including xControl to upper case
2018-06-25 17:43:31 -06:00
5e48565761
Merge pull request #961 from cnegre/newsystem
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Added newsystem flag to be passed to latte
2018-06-25 17:20:57 -06:00
06b3209ad8
Commit JT 062518
2018-06-25 09:56:39 -06:00
9108306c11
Shorter entropy/atom example
2018-06-24 00:36:09 +02:00
86519ce213
Rename compute to entropy/atom
2018-06-24 00:25:07 +02:00
dc132c8bf1
Added newsystem flag to be passed to latte
2018-06-21 15:40:20 -06:00
cbfb751e92
made latte.in compatible with v1.1.1 and updated log files
2018-06-21 11:10:29 -06:00
37b901eadb
Added boxrel example and simplified latte.in
2018-06-19 11:12:28 -06:00
4a88f53d22
adjust input files for changed paths
2018-06-18 19:17:25 -04:00
b2e6863d93
add reference log file.
2018-06-15 17:01:26 -04:00
f5e9b1e021
Added example input for fix wall rounded/polygon
2018-05-29 23:59:58 -05:00
1fbd4fffd4
Updated rounded/polygon example
2018-05-29 23:50:43 -05:00
d4cca615fb
Refactored pair body rounded/polyhedron so that kernel_force() can be derived for other styles
2018-05-29 23:42:03 -05:00
6457e5eedb
Commit1 JT 052918 modifs files
2018-05-29 14:51:21 -06:00
6438cffa57
Added examples for body rounded/polygon
2018-05-26 13:39:43 -05:00
dd3278ea07
Added examples for body rounded/polygon and rounded/polyhedron
2018-05-24 23:54:50 -05:00
5f0e6d0aa7
Commit JT2 052418
2018-05-24 12:55:39 -06:00
e550f5120b
Updated docs
2018-05-22 12:44:40 +02:00
