|
|
ff7f2e78a1
|
Merge branch 'master' into fix-external-python-support
|
2021-07-22 23:09:54 -04:00 |
|
|
|
d0a654097f
|
Merge branch 'collected-small-changes' into refactor-reaxff-parser
|
2021-07-22 16:46:07 -04:00 |
|
|
|
f8f4af471f
|
general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
|
2021-07-21 21:52:25 -04:00 |
|
|
|
72744ea441
|
update swig interface file to the latest changes in the c library header
|
2021-07-21 12:08:19 -04:00 |
|
|
|
d7edc95193
|
Update init_http_cache.sh
|
2021-07-21 11:34:43 -04:00 |
|
|
|
13147707aa
|
Add utility script to help update URLs for offline tool
|
2021-07-21 11:33:11 -04:00 |
|
|
|
34fa0da60e
|
Merge branch 'master' into package-reorganization-step1
# Conflicts:
# doc/src/Packages_details.rst
|
2021-07-02 13:24:49 -04:00 |
|
|
|
878795e64a
|
bulk rename of remaining USER- packages
|
2021-06-29 20:12:59 -04:00 |
|
|
|
9a740a4a60
|
add lammps_kokos_finalize() support to various LAMMPS wrappers and document
|
2021-06-27 17:07:42 -04:00 |
|
|
|
480fd39342
|
OpenMP suppression updates
|
2021-06-13 22:34:06 -04:00 |
|
|
|
e99e2ead68
|
update valgrind suppressions for newer GCC compilers
|
2021-06-13 18:28:42 -04:00 |
|
|
|
0ee6cf798c
|
include cythonize for building MLIAP with Python support
|
2021-06-06 18:25:47 -04:00 |
|
|
|
56b9de1d6b
|
Merge remote-tracking branch 'github/master' into collected-small-changes
|
2021-06-04 11:38:31 -04:00 |
|
|
|
d74d7cfd5f
|
Merge pull request #2789 from rbberger/gpu_hip_fixes
More GPU fixes for HIP
|
2021-06-04 01:08:53 -04:00 |
|
|
|
067fd48b57
|
Merge remote-tracking branch 'github/master' into collected-small-changes
# Conflicts:
# python/lammps/__init__.py
# python/lammps/core.py
|
2021-06-04 00:28:32 -04:00 |
|
|
|
4a8b460201
|
update singularity container definition file for Fedora 34
|
2021-06-03 14:04:59 -04:00 |
|
|
|
7e05c6f8fd
|
Update ROCm container defintiion and add missing lib path
|
2021-06-02 14:40:37 -04:00 |
|
|
|
249a2a6783
|
Sync copies of pizza
|
2021-06-02 13:09:52 -04:00 |
|
|
|
185664824e
|
address LGTM issues
|
2021-05-31 12:01:05 -04:00 |
|
|
|
2e6a0112d3
|
update URLs in some more files
|
2021-05-24 16:19:37 -04:00 |
|
|
|
e7ed20d307
|
hack to allow processing individual files. handle a few more substitutions
|
2021-05-24 15:53:21 -04:00 |
|
|
|
63ecb77303
|
fix some more URLs
|
2021-05-24 15:38:27 -04:00 |
|
|
|
0b538b1922
|
add tool to fix LAMMPS homepage URLs
|
2021-05-23 19:49:32 -04:00 |
|
|
|
d9505a4527
|
cmake tweaks
|
2021-05-13 08:57:41 -04:00 |
|
|
|
228711f59b
|
add GPU device query functions to library interface and its wrappers
|
2021-05-11 14:59:49 -04:00 |
|
|
|
b36cf85c31
|
update Swig interface definition file with added APIs. reorder to match library.h.
|
2021-05-06 20:50:21 -04:00 |
|
|
|
13fb03cf2c
|
fix typo
|
2021-05-05 23:22:05 -04:00 |
|
|
|
4e737b5645
|
add offline folder to tools README file
|
2021-05-05 23:19:32 -04:00 |
|
|
|
fe2a6eb8e7
|
Add quotes in instructions
|
2021-04-30 18:47:00 -04:00 |
|
|
|
dfa9f15817
|
Use URL-encoded PIP_FIND_LINKS to support spaces in paths
|
2021-04-30 18:18:58 -04:00 |
|
|
|
ee0e48ff86
|
Update README.md
|
2021-04-30 18:00:29 -04:00 |
|
|
|
7994bb320f
|
Add more quotes
|
2021-04-30 17:52:32 -04:00 |
|
|
|
bebb5c3edf
|
Add quotes
|
2021-04-30 11:04:34 -04:00 |
|
|
|
3bf2dbd45c
|
Merge branch 'offline_builds' of github.com:rbberger/lammps into offline_builds
|
2021-04-29 14:00:40 -04:00 |
|
|
|
85f683c1a0
|
Fix typo
|
2021-04-29 14:00:23 -04:00 |
|
|
|
bfd2b301c6
|
Update README.md
|
2021-04-29 13:47:43 -04:00 |
|
|
|
3d36d42e72
|
Update README.md
|
2021-04-29 13:47:17 -04:00 |
|
|
|
53165fc7c9
|
Add PACELIB to offline scripts
|
2021-04-29 13:37:26 -04:00 |
|
|
|
8b410cf2bd
|
Add scripts to simplify offline builds of docs and CMake
|
2021-04-29 13:26:55 -04:00 |
|
|
|
4738337e47
|
update/trim list of include files according to the IWYU principle
|
2021-04-24 13:22:39 -04:00 |
|
|
|
00e4bdb2b7
|
Merge pull request #2692 from arghdos/master
Porting to new default platform for AMD/HIP in ROCm 4.1
|
2021-04-06 14:39:30 -04:00 |
|
|
|
160f2cc630
|
Update ROCm container definitions
|
2021-04-02 16:11:23 -04:00 |
|
|
|
31009b0517
|
Merge branch 'master' into plugin-loader
|
2021-03-16 19:46:21 -04:00 |
|
|
|
c39d494ae4
|
update "magic" for restart files to have more information
|
2021-03-15 22:58:19 -04:00 |
|
|
|
84b0da3054
|
add a "magic" file for use with the file(1) command to detect LAMMPS files
|
2021-03-14 05:44:28 -04:00 |
|
|
|
88760fa648
|
add plugin clear command to unload all loaded plugins
|
2021-03-13 12:40:04 -05:00 |
|
|
|
79d438e090
|
add support for plugin command to LAMMPS shell
|
2021-03-13 12:18:07 -05:00 |
|
|
|
25420fc030
|
Start update of fep examples and doc
|
2021-01-22 21:39:09 +01:00 |
|
|
|
e88d42f596
|
correct indentation
|
2021-01-17 16:06:08 -05:00 |
|
|
|
14f691f0af
|
Add support for NVIDIA OpenCL in Ubuntu gpu containers
|
2020-11-30 14:46:24 -05:00 |
|
