|
|
8d5a59c0fa
|
Switched all command and class names from pressure to stress
|
2022-03-07 11:27:37 -07:00 |
|
|
|
c2b0347b30
|
Added notes on similarity between these computes
|
2022-03-07 09:09:29 -07:00 |
|
|
|
8f10953e92
|
Small comma error in citation
|
2022-03-07 10:27:23 +01:00 |
|
|
|
c8b7fc2144
|
Added cross-reference to compute pressure/cartesian
|
2022-03-06 20:19:38 -07:00 |
|
|
|
6da4db4d7e
|
Merge branch 'compute_pressure_cartesian_and_spherical' of github.com:olavgal/lammps into compute_pressure_cartesian_and_spherical
|
2022-03-06 20:11:20 -07:00 |
|
|
|
e857b923bc
|
Added representative output to log files
|
2022-03-06 20:11:10 -07:00 |
|
|
|
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 |
|
|
|
2f5f36cff8
|
move examples to a more appropriate folder. add logfiles
|
2022-03-06 11:03:57 -05:00 |
|
|
|
44e3874541
|
Changed citations
|
2022-03-06 12:50:25 +01:00 |
|
|
|
fac3ce4507
|
example files for pressure/cartesian/cylinder/spherical
|
2022-03-06 12:43:37 +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 |
|
|
|
9a98817567
|
reformat doc page and address spelling issues
|
2022-03-05 11:35:37 -05:00 |
|
|
|
99d29ea86a
|
Added kinetic contribution to pressure/cylinder and clang-format on all
|
2022-03-05 16:30:47 +01:00 |
|
|
|
089e46a540
|
Fixed some gramma
|
2022-03-05 16:29:42 +01:00 |
|
|
|
4e125ccfc6
|
Combined pressure profile documentation into one page
|
2022-03-05 16:22:11 +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 |
|
|
|
1e530dbd19
|
Changed ref name to avoid duplicate
|
2022-03-04 20:55:29 +01:00 |
|
|
|
23580d8ca5
|
Integrated pressure/cartesian and pressure/spherical
|
2022-03-04 20:54:33 +01:00 |
|
|
|
98d2dca83f
|
Trailing whitespace
|
2022-03-04 16:58:31 +01:00 |
|
|
|
6d48ba1577
|
Trailing whitespace
|
2022-03-04 16:57:59 +01:00 |
|
|
|
a7112f173a
|
Trailing whitespace
|
2022-03-04 16:56:39 +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 |
|
|
|
9f315fc2e2
|
small rewording
|
2022-02-28 12:17:20 -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 |
|
|
|
e287ef6ff9
|
Merge pull request #3154 from akohlmey/use-setuptools
Refactor python/install.py and 'make install-python' to use setuptools and build a binary wheel
|
2022-02-27 11:32:05 -05:00 |
|
|
|
750e0435a8
|
add link to code design page and update/clarify a couple of things
|
2022-02-27 11:29:20 -05:00 |
|
|
|
94f97be6e9
|
link Modify overview paragraph to Code design page
|
2022-02-27 11:29:19 -05:00 |
|
|
|
06f4ae0f1f
|
ignore wheel files
|
2022-02-27 07:03:02 -05:00 |
|
|
|
0be14d4ed8
|
move basename operation from setup.py to install.py
|
2022-02-27 07:02:39 -05:00 |
|
|
|
7c11d1675d
|
fix bug with make install
|
2022-02-27 06:33:22 -05:00 |
|
|
|
7fd41bea6a
|
add some comments to the refactored scripts to explain technical details
|
2022-02-25 20:10:13 -05:00 |
|
|
|
014ad94479
|
Fix rare bug in Kokkos with CUDA UVM
|
2022-02-25 16:45:58 -07:00 |
|
|
|
11ba2adbe7
|
add support for plumed 2.6.6, 2.7.4, and 2.8.0 (default 2.7.4)
|
2022-02-25 16:34:37 -05:00 |
|
|
|
1dbff92eeb
|
spelling
|
2022-02-25 16:23:48 -05:00 |
|
