|
|
8d5a59c0fa
|
Switched all command and class names from pressure to stress
|
2022-03-07 11:27:37 -07:00 |
|
|
|
8f10953e92
|
Small comma error in citation
|
2022-03-07 10:27:23 +01:00 |
|
|
|
793db836d9
|
update .gitignore
|
2022-03-06 19:55:11 -05:00 |
|
|
|
aaa51d6fc6
|
optimizations and avoiding floating point exceptions
|
2022-03-06 11:04:51 -05:00 |
|
|
|
44e3874541
|
Changed citations
|
2022-03-06 12:50:25 +01:00 |
|
|
|
ece25a95ad
|
stability improvements: recompute bin width for perfect match, don't test for floating point identity
|
2022-03-05 13:46:56 -05:00 |
|
|
|
15fa6049f2
|
update comments
|
2022-03-05 12:33:54 -05:00 |
|
|
|
43ac557a9b
|
remove unused headers and dead code. reformat a few small items
|
2022-03-05 12:31:36 -05:00 |
|
|
|
c24e46c547
|
don't apply modulus to doubles but integers
|
2022-03-05 12:30:40 -05:00 |
|
|
|
99d29ea86a
|
Added kinetic contribution to pressure/cylinder and clang-format on all
|
2022-03-05 16:30:47 +01:00 |
|
|
|
b3bef9cd34
|
Merged
|
2022-03-05 10:30:38 +01:00 |
|
|
|
9ea0c581ac
|
Adding kinetic contribution to prssure/cylinder
|
2022-03-05 10:25:28 +01:00 |
|
|
|
c9563d0814
|
Fixed style changes
|
2022-03-04 22:30:25 +01:00 |
|
|
|
98d2dca83f
|
Trailing whitespace
|
2022-03-04 16:58:31 +01:00 |
|
|
|
6d48ba1577
|
Trailing whitespace
|
2022-03-04 16:57:59 +01:00 |
|
|
|
9f0607876a
|
LAMMPS Homepage
|
2022-03-04 16:49:42 +01:00 |
|
|
|
47de1234c0
|
LAMMPS homepage and ø->{\o} in reference
|
2022-03-04 16:49:03 +01:00 |
|
|
|
2687228f09
|
Fixed LAMMPS homepage and changed ø to {\o} it reference
|
2022-03-04 16:47:16 +01:00 |
|
|
|
a396ed2b36
|
Fixed LAMMPS homepage
|
2022-03-04 16:45:31 +01:00 |
|
|
|
760d85b9c4
|
Two computes that computes the local mechanical pressure tensor in Cartesian and spherical coordinates
|
2022-03-04 16:04:18 +01:00 |
|
|
|
798975b809
|
Merge pull request #3155 from akohlmey/collected-small-changes
Collected small changes
|
2022-02-28 15:18:27 -05:00 |
|
|
|
763f8f432f
|
Merge pull request #3156 from stanmoore1/kk_verlet_uvm
Fix rare bug in Kokkos with CUDA UVM
|
2022-02-28 12:16:28 -05:00 |
|
|
|
bd4d1b52f9
|
Merge branch 'develop' into collected-small-changes
|
2022-02-27 19:33:04 -05:00 |
|
|
|
b76a7764fd
|
use new API to get access to intel fix
|
2022-02-27 15:19:34 -05:00 |
|
|
|
0ddefb3754
|
trigger building an intel style neighbor list so that buffers are allocated
|
2022-02-27 14:51:17 -05:00 |
|
|
|
bc9e45ca5a
|
use consistent names, avoid memory leaks, fix off-by-1 error in fourier dihedral
|
2022-02-27 12:24:37 -05:00 |
|
|
|
7824e43339
|
Change Update::reset_timestep() API so that rerun can bypass the time depended fix check
|
2022-02-27 11:35:34 -05:00 |
|
|
|
014ad94479
|
Fix rare bug in Kokkos with CUDA UVM
|
2022-02-25 16:45:58 -07:00 |
|
|
|
5ba6eb474c
|
try to appease coverity scan
|
2022-02-25 12:20:08 -05:00 |
|
|
|
4b7731e831
|
update install.py script to build a wheel and install that
|
2022-02-25 00:24:16 -05:00 |
|
|
|
a14a616dc2
|
make cythonize detection compatible with /bin/dash on ubuntu
|
2022-02-24 21:26:20 -05:00 |
|
|
|
44f884316b
|
when updating ML-IAP due to adding/removing PYTHON we need to delete and re-add cythonize support
|
2022-02-24 20:42:26 -05:00 |
|
|
|
9a1c994a8e
|
Merge branch 'develop' into rename_comm_forw_rev
# Conflicts:
# src/KOKKOS/comm_kokkos.cpp
# src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
|
2022-02-22 16:45:06 -05:00 |
|
|
|
04ec741f16
|
Merge pull request #3142 from charlessievers/chem_snap
SNAP bik flag
|
2022-02-22 16:29:39 -05:00 |
|
|
|
07d456c8b2
|
Merge pull request #3147 from stanmoore1/amd_hip_opt
Improvements from AMD to KOKKOS Package
|
2022-02-22 16:06:28 -05:00 |
|
|
|
b91788bf71
|
no need to use default argument
|
2022-02-21 22:12:26 -05:00 |
|
|
|
66d7f55a20
|
apply clang-format
|
2022-02-21 22:12:13 -05:00 |
|
|
|
de4a9f268e
|
rename reverse communication calls
|
2022-02-21 21:18:28 -05:00 |
|
|
|
4c0192cae1
|
rename forward communication functions for pair, fix, compute, and dump
|
2022-02-21 21:15:10 -05:00 |
|
|
|
4d9409dda9
|
Whitespace
|
2022-02-21 15:45:03 -07:00 |
|
|
|
70c149805c
|
Fix bugs in Kokkos tersoff
|
2022-02-21 15:29:01 -07:00 |
|
|
|
d1decfe15a
|
More cleanup
|
2022-02-21 14:31:50 -07:00 |
|
|
|
afbcf5e694
|
Remove early exit from blocking BuildLists
|
2022-02-21 14:00:31 -07:00 |
|
|
|
c2cec53701
|
Merge branch 'develop' of github.com:lammps/lammps into amd_hip_opt
|
2022-02-21 13:23:51 -07:00 |
|
|
|
4a2dc4f14a
|
Cleanup
|
2022-02-21 13:11:37 -07:00 |
|
|
|
e10ebf5236
|
Fix typos
|
2022-02-21 12:56:58 -07:00 |
|
|
|
1268c8c6ad
|
Update doc page and author contributions
|
2022-02-21 12:44:53 -07:00 |
|
|
|
78775a82f4
|
Merge branch 'develop' into collected-small-changes
|
2022-02-21 14:26:50 -05:00 |
|
|
|
850f1a690c
|
Tweak default
|
2022-02-21 11:45:07 -07:00 |
|
|
|
c725550fff
|
Added in explicit reference column behaviour for bik rows
|
2022-02-21 10:08:58 -08:00 |
|
