71b48253e8
remove special case CMake code for versions before 3.16
2023-06-30 23:15:37 -04:00
378ef4b23e
require CMake version 3.16
2023-06-30 22:59:41 -04:00
3af9546b94
provide README files with pointers to the developer info for plugins
...
also add a paragraph with information about the ML-PACE plugin to the
plugin developer info docs.
2022-06-04 11:49:33 -04:00
a232bd3302
refactor LAMMPS plugin building to share more code and to add a demo for ML-PACE
2022-06-04 10:59:25 -04:00
3beb071d38
make plugin compilation settings with MSVC consistent and more compile specific
2022-06-04 05:15:14 -04:00
530d8c007d
minor tweak
2022-04-08 18:09:10 -04:00
ef7c6a580e
simplify
2022-04-08 16:51:52 -04:00
9b969648d5
add kimplugin source and CMake based build support
2022-04-07 12:51:06 -04:00
2e6a0112d3
update URLs in some more files
2021-05-24 16:19:37 -04:00
335a6308d0
update kim query example log file
2021-02-26 13:04:29 -06:00
c16064d493
update kim examples log files
2021-02-25 08:23:26 -06:00
ab05e9f5c1
update the log files for the kim command examples
2021-02-23 06:11:54 -06:00
8f55701da8
adding 'kim query' command examples
2021-02-12 08:03:32 -06:00
12a9b6165a
remove old log files
2021-02-12 08:03:32 -06:00
10a48f18d0
update kim command examples
2021-02-12 08:03:21 -06:00
24ed8749d2
a kim-property command example
2020-03-27 17:17:04 -05:00
8619462b3b
Added logs for examples/kim
2019-08-07 16:14:22 -05:00
0f059c56f9
Add details about installing models to KIM example input
2019-07-29 15:30:46 -05:00
fadb40051b
Update kim_query & clear and update examples/kim
2019-07-25 14:03:35 -05:00
1f47da6c51
Add fixed_types to kim_init & split to kim_query
2019-07-08 17:46:47 -05:00
c11caf4509
update kim examples to temp. current state of code
2019-06-23 10:34:43 -05:00
88994d813a
Ignore kim.log in examples/kim
2019-06-21 18:38:48 -05:00
0613c10395
Work on kim_style for latest definition prototype
2019-06-20 16:45:45 -05:00
c9fe5810c1
add log outputs for updated kim_style command input examples
2019-05-30 21:52:23 -04:00
24a63f0f31
update kim_style command semantics as discussed in PR #1440
...
this also adds documentation of error messages in the kim_style header
2019-05-30 21:51:13 -04:00
b3a01694b7
remove leftover fix qeq/reax command
2019-05-27 23:34:05 -04:00
4619018ead
provide more simulator model variant input examples
2019-05-27 23:26:26 -04:00
ce46d52c8a
add new 'kim_style' command as front end for KIM simulator (and regular) models
2019-05-24 10:23:26 -04:00
38a8c765f0
add support species checking
2019-05-20 22:54:20 -04:00
99430767df
Start devel of native support for KIM simulator models
...
* CMake change to use KIM-API SimulatorModels branch
* Minimal changes to pair_kim to illustrate use of KIM API
interface. Only c++ interface is implemented for development.
* Added example input: in.kim.simulator-model
2019-04-30 21:48:50 -05:00
3464464ea9
Update kim example query and log files
2019-03-22 20:20:47 -05:00
741a7fe630
final touches to support compiling with libcurl transparently
2019-03-19 15:40:49 -04:00
6068a719ff
Updated example/kim/log.* files
2019-02-06 23:53:47 -06:00
b068690e13
Update for kim-api beta.3 release
2018-12-12 16:21:54 -06:00
3e73418601
Updated example/kim log files
2018-07-11 15:09:58 -07:00
fcec1498e3
update input example scripts for pair_kim
2018-07-11 15:09:58 -07:00
7eeb96f1af
Update pair_kim to work with new neig. list Hints
2018-07-11 15:09:58 -07:00
0264e044e2
Update example/kim input files
2018-07-11 15:09:58 -07:00
5bdc295331
Add skin to pair_kim neigh-list cutoffs & update docs
2018-07-11 15:09:58 -07:00
68ec8822ee
Update example/kim/log.*
2018-07-11 15:09:58 -07:00
955fe583d8
Updated docs for new pair_kim
2018-07-11 15:09:57 -07:00
493873fb93
clean up doc src
2016-10-06 13:00:46 -06:00
be035371f9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14612 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:12:57 +00:00
7579964db7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13505 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-02 00:44:28 +00:00
b3242e1962
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13504 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-02 00:44:17 +00:00
1177fd9af3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12266 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 23:30:16 +00:00
d1148fd1ee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12265 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 23:29:57 +00:00
ae2d215b8c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12149 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-27 17:35:07 +00:00
abdec3cb5d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11410 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-30 22:49:40 +00:00
9e639c529d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 21:54:21 +00:00