|
|
664227ff11
|
one more tweak
|
2020-01-09 17:41:02 -07:00 |
|
|
|
d1222bd3c0
|
minor omissions in recent patch release
|
2020-01-09 17:38:50 -07:00 |
|
|
|
481c647889
|
Merge pull request #1776 from Vsevak/tip4p_gpu
GPU support for lj/cut/tip4p/long pair style
|
2020-01-08 15:35:39 -05:00 |
|
|
|
c5768acbbc
|
Merge pull request #1801 from lammps/rigid-gravity
enable fix rigid commands to add gravity to COM of rigid bodies
|
2020-01-08 14:47:03 -05:00 |
|
|
|
7bc8c8e9d8
|
Minor tweaks to in.rigid.gravity example
|
2020-01-06 21:26:34 -07:00 |
|
|
|
6aa4f4caf6
|
Added example script and input data file showing benefits of new fix gravity and fix rigid options
|
2020-01-06 21:18:00 -07:00 |
|
|
|
081839b449
|
Fix the example according to the convention
|
2019-12-19 16:44:32 +03:00 |
|
|
|
6c3161cb55
|
Merge pull request #1796 from athomps/compute-snap-tweak
Fixed error in compute snap for quadratic and add log files for regre…
|
2019-12-13 11:55:20 -07:00 |
|
|
|
e68824a392
|
Merge pull request #1772 from ohenrich/user-cgdna
USER-CGDNA oxRNA2 Implementation
|
2019-12-06 12:23:47 -07:00 |
|
|
|
e08ba3f11e
|
Merge branch 'master' into library_interface_update
|
2019-12-03 12:51:17 -05:00 |
|
|
|
7233c3fedf
|
Fixed error in compute snap for quadratic and add log files for regression testing
|
2019-12-02 18:30:38 -07:00 |
|
|
|
3ce020eab2
|
Merge pull request #1779 from athomps/compute-snap
Compute snap
|
2019-12-01 12:52:22 -07:00 |
|
|
|
8bca0b13f1
|
Commit2 JT 112219
- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid)
- rerunning all examples with corrections of former commit
|
2019-11-22 16:29:37 -07:00 |
|
|
|
b4ba356f7b
|
Commit JT 111919
- generated fresh log. files in examples
- corrected some of the examples
|
2019-11-19 15:50:56 -07:00 |
|
|
|
a0c51b40b9
|
Commit2 JT 111919
- renaming validation directory
|
2019-11-19 12:54:30 -07:00 |
|
|
|
b109fd1687
|
Commit JT 111919
- modified named of tests, from benchmark to validation
|
2019-11-19 12:50:52 -07:00 |
|
|
|
921d0794bb
|
Finished documentation and example
|
2019-11-19 00:12:57 -07:00 |
|
|
|
59af51ca91
|
Added code to create pressure compute snap_press behind the scenes
|
2019-11-18 23:51:08 -07:00 |
|
|
|
11961084ce
|
Made compute snap fully parallel
|
2019-11-18 21:35:32 -07:00 |
|
|
|
7f448a02b1
|
Add examples/water
|
2019-11-17 22:01:29 +03:00 |
|
|
|
f4491011d0
|
Modified README
|
2019-11-15 18:54:37 +00:00 |
|
|
|
0346a3d6d1
|
Commit JT 111519
- add README file to the benchmark examples repo
- removed comments from src/SPIN files
|
2019-11-15 10:53:39 -07:00 |
|
|
|
f96520ffc6
|
Added unique base pairing
|
2019-11-15 17:49:17 +00:00 |
|
|
|
1df3a71734
|
Updated documentation
|
2019-11-15 15:35:19 +00:00 |
|
|
|
93bd2f4ab0
|
Commit JT 111319
- addind 4 first benchmark examples (in examples/SPIN/benchmark)
- corrected typo in examples (in dump commands)
|
2019-11-13 20:46:28 -07:00 |
|
|
|
78d5bc3d12
|
Merge branch 'master' into library_interface_update
|
2019-11-12 15:17:32 -05:00 |
|
|
|
d64bc2a1b7
|
Commit JT 110419
- commit changes examples
|
2019-11-04 08:05:07 -07:00 |
|
|
|
84165da4e7
|
Deleted old log files
|
2019-10-17 19:34:04 +01:00 |
|
|
|
c6f637f78f
|
Merge branch 'master' into user-cgdna
|
2019-10-17 18:40:50 +01:00 |
|
|
|
5652154b3c
|
Added log files
|
2019-10-17 18:37:55 +01:00 |
|
|
|
b29a962032
|
Corrected r_stk_high coefficient
|
2019-10-17 16:16:28 +01:00 |
|
|
|
bfcab685ce
|
add reference outputs to example input
|
2019-10-15 17:28:35 +02:00 |
|
|
|
9c5c33e869
|
Updated gjf examples
|
2019-10-14 14:39:45 -07:00 |
|
|
|
f2840176b3
|
clarified the README
|
2019-10-08 18:14:32 -06:00 |
|
|
|
945f903683
|
added an examples/UNITS dir
|
2019-10-08 18:02:21 -06:00 |
|
|
|
0e10fbb133
|
Merge pull request #1690 from charlessievers/third_order
Added third order, added documentation, took out extraneous lines, ad…
|
2019-10-08 21:57:15 +02:00 |
|
|
|
8c063343a1
|
Merge branch 'master' into collected-small-changes
|
2019-10-07 18:54:33 +02:00 |
|
|
|
ed467d8867
|
Merge branch 'master' of github.com:alxvov/lammps into OSO
- solved conflict in doc/src/fix_nve_spin.txt
|
2019-10-04 08:56:49 -06:00 |
|
|
|
ed5678d646
|
Merge pull request #1673 from charlessievers/lammps_gjf
Lammps fix langevin updates for gjf option
|
2019-10-04 10:02:46 +02:00 |
|
|
|
8c4798b692
|
added dynamical matrix python script
|
2019-09-26 12:39:55 -07:00 |
|
|
|
5d88e12583
|
correct model comment and remove trailing whitespace
|
2019-09-25 14:33:07 -04:00 |
|
|
|
a0974bc09d
|
Commit JT 092419
- changed the nve/spin lattice option
- from (yes/no) to (moving/frozen)
- changed the doc and all examples
|
2019-09-24 15:58:22 -06:00 |
|
|
|
a31aa5debc
|
Merge branch 'master' of github.com:alxvov/lammps into OSO
|
2019-09-23 14:22:26 -06:00 |
|
|
|
bc0ff0db61
|
Commit2 JT 092319
- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
|
2019-09-23 13:48:33 -06:00 |
|
|
|
d84cbe49a4
|
Merge pull request #1686 from cusentino/snap-WBe-example
Added W-Be example to example/snap folder
|
2019-09-19 15:38:35 -04:00 |
|
|
|
3fd43224b3
|
update comments in example inputs
|
2019-09-19 15:17:52 -04:00 |
|
|
|
415698d570
|
update examples/README
|
2019-09-19 13:53:54 -04:00 |
|
|
|
ed6dd1a632
|
Merge pull request #1666 from tanmoy7989/local_density
added LD potential and wrote html-style doc
|
2019-09-19 11:45:46 -04:00 |
|
|
|
e847777e43
|
Added W-Be example to example/snap folder
|
2019-09-18 14:34:20 -06:00 |
|
|
|
eba10b10e8
|
Merge remote-tracking branch 'origin/master' into lammps_gjf
|
2019-09-17 12:08:12 -07:00 |
|
