|
|
8f61bc57d2
|
move xhold checks caller-side
this also allows it to fall-back on do-nothing rather than crash
|
2024-05-22 10:02:52 +02:00 |
|
|
|
b5ecea502a
|
Changed folding logic to use minimum_image rather than pbc
|
2024-05-14 08:51:40 +02:00 |
|
|
|
2dc5931829
|
Fix whitespace
|
2024-05-13 22:34:21 +02:00 |
|
|
|
bc38b55941
|
Removed iostream import
Leftover from debugging output
|
2024-05-13 22:33:48 +02:00 |
|
|
|
ad90c9836f
|
Just some additional comments, and removed debug output
|
2024-05-13 22:33:48 +02:00 |
|
|
|
fe19a7efb5
|
disable Nagle's algorithm for internet socket
|
2024-05-13 22:33:48 +02:00 |
|
|
|
bb471b1c86
|
Minimally-invasive implementation of the ipi-side modification
|
2024-05-13 22:33:48 +02:00 |
|
|
|
b3fc34f240
|
Try a (dirty) fix to the i-pi neighbor list update problem
|
2024-05-13 22:33:48 +02:00 |
|
|
|
ad855ad7ea
|
remove unused constants
|
2024-02-05 20:26:23 -05:00 |
|
|
|
a6261d75b9
|
some more define to static constexpr conversions
|
2024-01-24 21:14:19 -05:00 |
|
|
|
12422ff510
|
replace defines with static constexpr declarations
|
2024-01-21 15:53:35 -05:00 |
|
|
|
a4da55942a
|
check if creating unix domain socket failed
|
2023-11-17 03:16:27 -05:00 |
|
|
|
564a8e88c1
|
use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
|
2023-07-11 10:31:16 -04:00 |
|
|
|
4aacbfb24f
|
refactor to silence compiler warnings
|
2023-03-31 13:26:04 -04:00 |
|
|
|
4244e458f5
|
silence compiler warnings about unused variables and parameters
|
2023-03-26 21:50:29 -04:00 |
|
|
|
b41d826e0a
|
Merge branch 'develop' into gran-temp
|
2023-03-16 17:44:36 -04:00 |
|
|
|
27da716852
|
getting out of the insurance business :-)
|
2023-01-23 16:45:41 -05:00 |
|
|
|
819ab9f2ff
|
portability improvements for Solaris/OpenIndiana
|
2023-01-19 17:36:02 -05:00 |
|
|
|
f175a15627
|
Merge branch 'develop' into gran-temp
|
2023-01-10 09:58:50 -07:00 |
|
|
|
281e67d6fb
|
Merge branch 'develop' into distributed-grids
|
2022-12-14 18:12:10 -05:00 |
|
|
|
b30ce3ff32
|
next round of IWYU updates
|
2022-12-12 01:07:46 -05:00 |
|
|
|
6365af8704
|
Merge branch 'develop' into distributed-grids
|
2022-12-01 10:38:55 -05:00 |
|
|
|
e36a360891
|
error out when reduced units are used with fix ipi or fix pimd
|
2022-11-24 13:17:11 -05:00 |
|
|
|
b4118c51cc
|
merged in current master
|
2022-11-04 08:22:18 -06:00 |
|
|
|
95a8d2cc25
|
Patching pair tracker
|
2022-11-02 15:38:12 -06:00 |
|
|
|
248b7383c7
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
|
2022-10-24 15:50:50 -04:00 |
|
|
|
2132b1d904
|
update developer reference text
|
2022-10-24 11:08:26 -04:00 |
|
|
|
12baf65d7a
|
correct implementation of quartic potential in pair style list
|
2022-10-21 02:25:40 -04:00 |
|
|
|
cccf3f6f78
|
change email for contacting LAMMPS developers, add to homepage checker
|
2022-10-20 20:36:03 -04:00 |
|
|
|
aa0bd180d1
|
apply clang-format
|
2022-10-14 09:24:49 -04:00 |
|
|
|
a0d859933c
|
Update from master
|
2022-10-12 09:49:55 -06:00 |
|
|
|
f2b3d8e8c3
|
use morse interaction energy from bond style morse not pair style morse
|
2022-10-04 07:02:44 -04:00 |
|
|
|
74d5893dd9
|
enable and apply clang-format
|
2022-10-04 05:06:31 -04:00 |
|
|
|
6a97ca2468
|
better error checking and reporting
|
2022-10-04 05:02:46 -04:00 |
|
|
|
a3c676015b
|
store squared cutoff as documented
|
2022-10-04 04:13:42 -04:00 |
|
|
|
5508c7f25e
|
Bug fix for pair_style list quartic.
|
2022-10-04 13:27:32 +08:00 |
|
|
|
ed8e317ef6
|
Added quartic function for explicit pair interaction in pair_style list.
|
2022-10-04 10:40:32 +08:00 |
|
|
|
e2df4ed2a7
|
Merge branch 'develop' into distributed-grids
# Conflicts:
# doc/src/Developer_utils.rst
# doc/src/dump.rst
# doc/src/fix_ave_chunk.rst
# src/utils.h
|
2022-09-12 18:31:29 -04:00 |
|
|
|
67f6adebb7
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
|
|
22709b73e2
|
auto loop optimizations
|
2022-09-10 03:07:28 -04:00 |
|
|
|
ccf6c2d55a
|
Merge remote-tracking branch 'github/develop' into distributed-grids
|
2022-08-18 15:18:27 -04:00 |
|
|
|
da3e723351
|
Merge branch 'develop' into distributed-grids
|
2022-08-18 15:10:44 -04:00 |
|
|
|
92c9614429
|
Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
|
2022-08-17 15:48:26 -04:00 |
|
|
|
29e1595fb4
|
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
|
2022-08-13 04:51:54 -05:00 |
|
|
|
894b053ef4
|
silence compiler warnings
|
2022-08-12 17:13:44 -04:00 |
|
|
|
58800b5191
|
enable relancing to work with distributed grids
|
2022-08-11 13:28:50 -06:00 |
|
|
|
681ad88f08
|
rename fix STORE_LOCAL to STORE/LOCAL for consistency
|
2022-08-05 02:57:38 -04:00 |
|
|
|
40920ac6e1
|
improved error messages for duplicate or missing entries in manybody potential files
|
2022-07-22 12:41:43 -04:00 |
|
|
|
3c99a6b5c4
|
Correctly handle the dependency of pair style (and fix) srp/react on the MC package
|
2022-07-20 17:01:44 -04:00 |
|
|
|
7b7ae55238
|
small fix, idcreate and idbreak are already deleted in destructor now
|
2022-07-08 15:39:30 -04:00 |
|
