|
|
bee95e41ae
|
Added references to example input scripts to the doc pages
|
2021-07-02 14:06:06 -05:00 |
|
|
|
48d3acb52b
|
Updated the doc pages for the /dielectric styles
|
2021-07-02 13:45:08 -05:00 |
|
|
|
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 |
|
|
|
021e8a404d
|
Updated example data files
|
2021-07-02 12:20:26 -05:00 |
|
|
|
411d1f1240
|
move fix imd from USER-MISC to MISC
|
2021-07-02 13:19:47 -04:00 |
|
|
|
bc715ac7e8
|
Merge upstream master into dielectric-updates
|
2021-07-02 12:14:06 -05:00 |
|
|
|
e2a78cbed6
|
SYCL team_reduce to mimic cuda __syncthreads_count
This fixes a suspected out of bounds error later on in the kernel.
|
2021-07-02 15:41:32 +01:00 |
|
|
|
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 |
|
|
|
efaec31a84
|
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
|
2021-06-29 15:28:27 -04:00 |
|
|
|
aeeb79b188
|
correcting small bug in fix nve/spin
|
2021-06-29 12:31:50 -06:00 |
|
|
|
9cb82f4033
|
update docs for renames examples folders
|
2021-06-29 11:31:57 -04:00 |
|
|
|
7390d8e344
|
remove bogus folder
|
2021-06-29 11:31:31 -04:00 |
|
|
|
4342987043
|
rename example folders
|
2021-06-29 11:23:47 -04:00 |
|
|
|
b8c5f08e75
|
improve error message
|
2021-06-29 11:13:44 -04:00 |
|
|
|
e482502691
|
rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
|
2021-06-29 11:06:59 -04:00 |
|
|
|
553a06e823
|
remove bogus file
|
2021-06-29 10:44:40 -04:00 |
|
