1d3116d7c2
Merge branch 'master' into less-compiler-warnings
2018-09-04 08:59:12 -04:00
9e03bf7db9
make USER-DIFFRACTION input example fully consistent with output and remove additional input file
2018-09-01 19:12:46 -04:00
5f0423b97d
change -mpi to -mpicolor
2018-08-31 17:04:27 -06:00
78301e5e93
Merge branch 'master' into cslib
2018-08-31 16:30:28 -06:00
f66ce801ad
final testing
2018-08-31 16:21:45 -06:00
bc62002b1c
units and doc changes
2018-08-31 16:05:24 -06:00
83d453e78b
updates to MD protocol and examples
2018-08-28 17:08:52 -06:00
31ed3f7178
more changes to insure each triplet IJK computed exactly once
2018-08-27 17:09:59 -06:00
44bda245a6
resolution of cutoff issues
2018-08-24 09:36:39 -06:00
03b880a31c
more doc page updates
2018-08-22 11:42:41 -06:00
89a3670fb5
merge master into cslib branch, update docs
2018-08-22 11:19:55 -06:00
4d75d2d611
more changes to ATM source and doc file
2018-08-06 20:49:05 +01:00
5789ef9128
bug-fix for slope() function in variable
2018-08-03 10:08:02 -06:00
b2d1332d46
change proc count to color for MPI_Comm_split
2018-08-02 14:47:20 -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
7cae80b6d8
Merge https://github.com/lammps/lammps
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more changes to ATM source and doc file
2018-07-26 11:42:53 +01:00
b2c75cc0b9
enable LAMMPS/VASP coupling to work w/out using VASP
2018-07-24 17:29:52 -06:00
a4dbac63d3
more updates to the new MESSAGE package
2018-07-24 17:22:15 -06:00
ab1cc706cc
change syntax of standard C include files
2018-07-24 11:55:56 -06:00
2f55981224
new MESSAGE package for client/server/coupling
2018-07-23 15:58:33 -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
843b96e8dd
more changes to new polygon/hedron docs and command names
2018-07-18 08:49:42 -06:00
d4385ade15
more changes to ATM source and doc file
2018-07-16 11:22:22 -06:00
b461967e91
Updated documentation and source
2018-07-13 20:45:06 +01:00
bf5fbc92df
Updated documentation and source
2018-07-13 20:18:53 +01:00
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
3a824b3a4b
mods to Sergey's files
2018-07-09 14:16:46 -06:00
7260bb58e1
Added Axilrod-Teller manybody potential
2018-07-04 11:03:30 +01:00
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
