|
|
08db64c27f
|
More updates for oxidation, more doc pages
|
2024-03-31 21:40:34 -06:00 |
|
|
|
7ea0dc3996
|
Adding more oxidation features + doc pages
|
2024-03-29 19:00:14 -06:00 |
|
|
|
010a4c076b
|
Prototyping oxidation
|
2024-03-28 11:31:21 -06:00 |
|
|
|
b3de75da97
|
Cleaning up math, fixing tension bug, patching bond creation
|
2024-02-23 13:26:28 -07:00 |
|
|
|
70ea1dd352
|
Refreshing no shift flag for solid particles
|
2024-01-23 14:58:31 -07:00 |
|
|
|
574ccc64eb
|
Fixing bugs for solid particles
|
2024-01-23 14:04:10 -07:00 |
|
|
|
affb879037
|
Merge branch 'develop' into rheo
|
2024-01-18 14:52:15 -07:00 |
|
|
|
af60285a3f
|
Merge pull request #4048 from akohlmey/lepton_updates
Update LEPTON styles for more flexibility
|
2024-01-18 16:34:38 -05:00 |
|
|
|
0ad1d29c4d
|
Merge pull request #4047 from stanmoore1/kk_fix_exchange_bug
Fix bug in some Kokkos fixes' unpack exchange on device
|
2024-01-18 14:58:09 -05:00 |
|
|
|
fe1b568241
|
Merge pull request #4046 from akohlmey/molecule-dipole
Add support for Dipoles section to molecule files
|
2024-01-18 14:57:01 -05:00 |
|
|
|
bf9b8606ef
|
Merge pull request #3905 from jrgissing/bond_react_fixes_aug23
Assorted bond/react fixes
|
2024-01-18 14:41:01 -05:00 |
|
|
|
3b3ab4207b
|
Merge pull request #4042 from akohlmey/fmtlib-10.2.1
Update embedded fmtlib code to version 10.2.1
|
2024-01-18 14:33:28 -05:00 |
|
|
|
73194764e9
|
add optional keywords "auto_offset" and "no_offset" to bond/angle style lepton
|
2024-01-18 11:05:52 -05:00 |
|
|
|
f3c5002634
|
Merge branch 'lammps:develop' into bond_react_fixes_aug23
|
2024-01-18 10:00:00 -05:00 |
|
|
|
57db9be64f
|
add support for Lepton expressions with constant force or constant potential
|
2024-01-18 09:46:23 -05:00 |
|
|
|
189b08b4a5
|
Fix bug in some Kokkos fixes' unpack exchange on device
|
2024-01-17 14:47:59 -07:00 |
|
|
|
6e2df52c8f
|
remove dead code and align better with LAMMPS programming style
|
2024-01-17 16:09:16 -05:00 |
|
|
|
16d4811592
|
move fix bond/history back to src folder
|
2024-01-17 15:48:03 -05:00 |
|
|
|
d5da47cf33
|
Revert "adjust a few more fix styles for fix bond/history being optional"
This reverts commit 497c48bd80.
|
2024-01-17 15:47:11 -05:00 |
|
|
|
b47ad7acf4
|
Revert "make delete_bonds command code compatible with BPM package not being installed"
This reverts commit 715b030bd6.
|
2024-01-17 15:46:03 -05:00 |
|
|
|
ff0d18114e
|
silence compiler warnings
|
2024-01-17 13:25:46 -05:00 |
|
|
|
9312ce0beb
|
store and print title line of molecule
|
2024-01-16 12:20:02 -05:00 |
|
|
|
87297902a3
|
Add support for "Dipoles" section in molecule file
|
2024-01-16 12:04:00 -05:00 |
|
|
|
e3f81a2513
|
correct typo
|
2024-01-16 04:11:56 -05:00 |
|
|
|
e82ba61183
|
loop over all neighbor lists for created bonds same as for broken bonds
|
2024-01-16 04:02:38 -05:00 |
|
|
|
67f06097ee
|
Updating utils functions for pair rheo/react
|
2024-01-15 22:04:26 -07:00 |
|
|
|
a34ddd7ccd
|
Merge branch 'rheo' of github.com:jtclemm/lammps into rheo
|
2024-01-15 17:26:42 -07:00 |
|
|
|
56764f0244
|
Merge branch 'develop' into rheo
|
2024-01-15 17:26:23 -07:00 |
|
|
|
74656f4e04
|
silence compiler warnings
|
2024-01-15 12:27:05 -05:00 |
|
|
|
4d830f1450
|
Merge branch 'develop' into collected-small-changes
|
2024-01-15 09:23:35 -05:00 |
|
|
|
07876b5d1a
|
this limitation no longer applies
|
2024-01-14 07:53:33 -05:00 |
|
|
|
3c40f9fda2
|
remove obsolete machine makefiles
|
2024-01-13 10:23:58 -05:00 |
|
|
|
3668c0fc1b
|
Merge branch 'develop' into fmtlib-10.2.1
|
2024-01-13 05:06:52 -05:00 |
|
|
|
497c48bd80
|
adjust a few more fix styles for fix bond/history being optional
|
2024-01-13 04:50:28 -05:00 |
|
|
|
2ac37aa91a
|
Merge branch 'rheo' of github.com:jtclemm/lammps into rheo
|
2024-01-12 17:00:37 -07:00 |
|
|
|
a0cf5191c2
|
Adding nonzero starting rhos
|
2024-01-12 17:00:12 -07:00 |
|
|
|
39579d21c8
|
correct factor 2 force error for m=1 in angle style cosine/periodic
|
2024-01-12 18:45:10 -05:00 |
|
|
|
715b030bd6
|
make delete_bonds command code compatible with BPM package not being installed
|
2024-01-12 16:26:43 -05:00 |
|
|
|
a131b90962
|
make delete_bonds command code compatible with BPM package not being installed
|
2024-01-12 16:19:11 -05:00 |
|
|
|
faef34a8d4
|
Merge branch 'develop' into rheo
|
2024-01-12 13:26:38 -07:00 |
|
|
|
01a3656eaf
|
correct factor 2 force error for m=1 in angle style cosine/periodic
|
2024-01-12 15:25:42 -05:00 |
|
|
|
72ba7f6535
|
whitespace/clang-format
|
2024-01-12 15:25:42 -05:00 |
|
|
|
7c744f170e
|
improve error message
|
2024-01-12 15:25:41 -05:00 |
|
|
|
02d2509e68
|
Merge branch 'develop' into bigint_dof_computation
|
2024-01-12 15:25:09 -05:00 |
|
|
|
df5461c27e
|
Merge pull request #4021 from jtclemm/BPM
Bug fixes for BPM package
|
2024-01-12 15:24:24 -05:00 |
|
|
|
92481b546e
|
Merge pull request #4036 from akohlmey/collected-kokkos-changes
Collected small KOKKOS changes
|
2024-01-12 15:12:56 -05:00 |
|
|
|
dd7ce5fbaa
|
remove one more source of 32-bit integer overflow
|
2024-01-12 14:57:26 -05:00 |
|
|
|
073a72d933
|
fixing merge conflicts
|
2024-01-12 11:12:02 -07:00 |
|
|
|
5ef8e8cf9a
|
remove variables that are set but not used
|
2024-01-11 18:53:14 -05:00 |
|
|
|
d4bd385f5e
|
remove unused function parameters and corresponding variables
|
2024-01-11 18:52:47 -05:00 |
|
