|
|
d041e5cba0
|
we require at least zstd API version 1.4
|
2021-07-06 13:39:07 -04:00 |
|
|
|
c805040e14
|
two more uses of temporary variable
|
2021-07-06 13:10:40 -04:00 |
|
|
|
0614cb16bb
|
add missing dependency
|
2021-07-06 13:07:08 -04:00 |
|
|
|
f84ab6f26b
|
clarify fix nve impact
|
2021-07-04 19:21:09 -04:00 |
|
|
|
455b7b9392
|
remove single precision floating point math and reformat
|
2021-07-04 18:24:46 -04:00 |
|
|
|
a61e79ad72
|
avoid integer overflow issues reported by CodeQL
|
2021-07-03 17:38:48 -04:00 |
|
|
|
4b42b51006
|
fix broken links
|
2021-07-03 16:23:55 -04:00 |
|
|
|
b314c83266
|
fix up mistyped package names
|
2021-07-03 16:19:15 -04:00 |
|
|
|
9996d7eaad
|
NULL -> nullptr, and coding style updates
|
2021-07-03 15:50:09 -04:00 |
|
|
|
3b480397d1
|
Merge pull request #2822 from akohlmey/next_patch_release
Step version strings for next patch release
patch_2Jul2021
|
2021-07-02 17:08:28 -04:00 |
|
|
|
c2a12f97c5
|
Merge pull request #2818 from akohlmey/package-reorganization-step1
Package Reorganization (step 1)
|
2021-07-02 16:16:19 -04:00 |
|
|
|
ce9351d7e7
|
add package update processing for cythonize
|
2021-07-02 15:55:17 -04:00 |
|
|
|
b075d18b38
|
ML-IAP Python interface depends on PYTHON package
|
2021-07-02 15:24:32 -04:00 |
|
|
|
5408210623
|
reformat
|
2021-07-02 14:34:23 -04:00 |
|
|
|
dbeaec4957
|
reformat
|
2021-07-02 14:17:00 -04:00 |
|
|
|
34fa0da60e
|
Merge branch 'master' into package-reorganization-step1
# Conflicts:
# doc/src/Packages_details.rst
|
2021-07-02 13:24:49 -04:00 |
|
|
|
411d1f1240
|
move fix imd from USER-MISC to MISC
|
2021-07-02 13:19:47 -04:00 |
|
|
|
bf5934e581
|
Merge pull request #2795 from jtclemm/fabric
Add fabric tensor compute
|
2021-07-01 21:59:48 -04:00 |
|
|
|
f4d4da32a7
|
Merge pull request #2470 from lammps/kk_finalize
Fix issue with Kokkos::finalize and library interface
|
2021-07-01 21:11:49 -04:00 |
|
|
|
c495fdfdf3
|
step version strings for next patch release
|
2021-07-01 20:17:07 -04:00 |
|
|
|
76526ef2b7
|
Merge pull request #2817 from julient31/exchange-biquadratic
Correcting a small bug in fix nve/spin
|
2021-07-01 20:12:12 -04:00 |
|
|
|
a370e9e329
|
DPD basic styles have GPU package versions
|
2021-07-01 00:58:10 -04:00 |
|
|
|
58196d57f1
|
New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
|
2021-07-01 00:51:55 -04:00 |
|
|
|
88c8d1a3c6
|
rename "minimal" preset to "basic"
|
2021-06-30 20:39:17 -04:00 |
|
|
|
e4bb7da69f
|
small tweak
|
2021-06-30 20:25:21 -04:00 |
|
|
|
b1d16508fe
|
small tweak to recover first initialization settings for consistent output
|
2021-06-30 17:40:42 -04:00 |
|
|
|
2ca87ccd3f
|
handle package dependency issues
|
2021-06-30 15:09:58 -04:00 |
|
|
|
63da5c4ba1
|
fix typo
|
2021-06-30 15:08:24 -04:00 |
|
|
|
7ba9c22d2c
|
update installation instructions and remove references to patches which we don't provide anymore
|
2021-06-30 14:54:58 -04:00 |
|
|
|
11328cbed2
|
update package variables and implement minimal/most selection of packages
|
2021-06-30 14:45:26 -04:00 |
|
|
|
1c25caaa6e
|
convert explicit tables of packages to simpler to maintain table from list constructs
|
2021-06-30 14:40:20 -04:00 |
|
|
|
d7a24dee91
|
Add warning
|
2021-06-30 12:08:33 -06:00 |
|
|
|
4928bd8b3d
|
Merge branch 'master' of github.com:lammps/lammps into kk_finalize
|
2021-06-30 10:18:12 -06:00 |
|
|
|
d47f2aca53
|
recover compilation with CMake
|
2021-06-29 22:18:27 -04:00 |
|
|
|
cc0d9f2be0
|
recover building the manual
|
2021-06-29 21:49:21 -04:00 |
|
|
|
16002ddb54
|
rename some more example folders
|
2021-06-29 21:48:57 -04:00 |
|
|
|
9d208c9ebd
|
rename some examples folders
|
2021-06-29 20:25:18 -04:00 |
|
|
|
878795e64a
|
bulk rename of remaining USER- packages
|
2021-06-29 20:12:59 -04:00 |
|
|
|
2d4bb8f38c
|
rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
|
2021-06-29 19:45:38 -04:00 |
|
|
|
8e185a1a12
|
rename USER-DPD to DPD-REACT
|
2021-06-29 19:41:23 -04:00 |
|
|
|
6ceedb62be
|
rename USER-REAXC to REAXFF
|
2021-06-29 19:37:55 -04:00 |
|
|
|
1dc25b0e10
|
rename USER-OMP to OPENMP
|
2021-06-29 17:48:22 -04:00 |
|
|
|
c085e55695
|
rename USER-SMD package to MACHDYN
|
2021-06-29 17:19:39 -04:00 |
|
|
|
8bf6805e1d
|
rename USER-LB to LATBOLTZ
|
2021-06-29 17:07:14 -04:00 |
|
|
|
dc3efd17d2
|
rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
|
2021-06-29 16:59:05 -04:00 |
|
|
|
995195606e
|
rename USER-RANN to ML-RANN
|
2021-06-29 16:32:06 -04:00 |
|
|
|
c582d5b5ce
|
update path to examples in README files
|
2021-06-29 15:58:08 -04:00 |
|
|
|
d52cd88492
|
rename USER-QUIP to ML-QUIP
|
2021-06-29 15:55:41 -04:00 |
|
|
|
fd24820603
|
rename USER-PACE to ML-PACE
|
2021-06-29 15:45:50 -04:00 |
|
|
|
031e537d3f
|
rename USER-HDNNP to ML-HDNNP
|
2021-06-29 15:38:45 -04:00 |
|
