|
|
2ac0d065a7
|
step version strings for next release
|
2024-11-19 02:05:49 -05:00 |
|
|
|
7d176cb66e
|
fix logic bug
|
2024-08-31 07:04:53 -04:00 |
|
|
|
70a62d5ebf
|
make certain that the mass and mass_setflag arrays are fully initialized (to zero)
|
2024-08-31 06:20:44 -04:00 |
|
|
|
9d9e591b54
|
first try at implementing lammps_extract_atom_size()
|
2024-08-30 22:50:42 -04:00 |
|
|
|
e921af8efa
|
fix bug where custom property dimension was not reported
|
2024-08-30 10:40:58 -04:00 |
|
|
|
9b46cd9a3a
|
add error checks to verlet/split
|
2024-08-21 15:23:27 -06:00 |
|
|
|
dca156eacc
|
Edits to devleoper doc files 2
|
2024-08-15 17:12:39 -06:00 |
|
|
|
a9a896c677
|
Small doc changes, renaming status variable
|
2024-07-15 17:19:51 -06:00 |
|
|
|
66552d80da
|
Merge branch 'develop' into rheo
|
2024-07-03 03:42:44 -04:00 |
|
|
|
5cbe85ecf1
|
remove redundant error argument (accessible through lmp)
|
2024-06-25 18:19:41 -04:00 |
|
|
|
b219bb8de8
|
Merge conflicts
|
2024-06-24 14:09:33 -06:00 |
|
|
|
85a2f4bbfa
|
Merge branch 'lammps:develop' into improve_type_label_support
|
2024-05-12 23:15:34 -04:00 |
|
|
|
fc32826cd7
|
more uses of bounds_typelabel
|
2024-05-12 16:44:24 -04:00 |
|
|
|
905ceb98f1
|
merge in current develop
|
2024-04-05 09:36:29 -06:00 |
|
|
|
cd154abe73
|
add "Incorrect format in ... section of data file" to Error_details and url
|
2024-03-26 23:56:38 -04:00 |
|
|
|
49dcefa83b
|
add missing override keywords
|
2024-02-06 19:36:35 -05:00 |
|
|
|
dbdcfc5c97
|
Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
|
2024-02-06 19:21:50 -05:00 |
|
|
|
ad855ad7ea
|
remove unused constants
|
2024-02-05 20:26:23 -05:00 |
|
|
|
7905e5d146
|
Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
|
2024-01-29 21:05:21 -05:00 |
|
|
|
c43b10f952
|
Merge branch 'develop' into srtee_develop
|
2024-01-29 17:37:54 -05:00 |
|
|
|
4082ca077e
|
Merge branch 'develop' into consolidate-sphere-omega-flag
# Conflicts:
# src/compute_temp_sphere.cpp
|
2024-01-25 17:57:53 -05:00 |
|
|
|
12422ff510
|
replace defines with static constexpr declarations
|
2024-01-21 15:53:35 -05:00 |
|
|
|
0d8f549e33
|
remove sphere_flag and replace with radius_flag and omega_flag as needed
|
2024-01-19 12:50:31 -05:00 |
|
|
|
affb879037
|
Merge branch 'develop' into rheo
|
2024-01-18 14:52:15 -07:00 |
|
|
|
8cf2705d68
|
Merge branch 'develop' into general-triclinic
|
2024-01-18 15:01:09 -05:00 |
|
|
|
87297902a3
|
Add support for "Dipoles" section in molecule file
|
2024-01-16 12:04:00 -05:00 |
|
|
|
99e38ba55a
|
fix whitespace
|
2024-01-16 23:44:00 +10:00 |
|
|
|
b95706ca64
|
make separate find_custom_ghost() and use four separate ghost info arrays
|
2024-01-16 23:35:40 +10:00 |
|
|
|
073a72d933
|
fixing merge conflicts
|
2024-01-12 11:12:02 -07:00 |
|
|
|
61ca9b79db
|
add custom_border to Atom and AtomKokkos
|
2023-12-15 11:48:46 +10:00 |
|
|
|
45372937db
|
loads of whitespace fixes
|
2023-12-01 14:52:47 -05:00 |
|
|
|
767b50e718
|
Merge branch 'develop' into general-triclinic
|
2023-12-01 14:13:05 -05:00 |
|
|
|
dc32efe9be
|
whitespace
|
2023-11-23 16:19:43 -05:00 |
|
|
|
961cbfbe10
|
add custom atom property refs to variable syntax
|
2023-11-22 22:40:58 -07:00 |
|
|
|
9fae8a2c2d
|
Merge branch 'develop' into general-triclinic
|
2023-11-21 15:21:16 -07:00 |
|
|
|
612a919e93
|
more work on read_data and doc pages
|
2023-11-06 16:56:33 -07:00 |
|
|
|
08edd193e2
|
programming style updates
|
2023-10-21 14:57:26 -04:00 |
|
|
|
21d3f3240e
|
more work on restart support
|
2023-09-16 10:09:26 -06:00 |
|
|
|
c7e794146f
|
initial support for write_data
|
2023-09-13 10:03:05 -06:00 |
|
|
|
dec245c67b
|
support for other vector fields in read_data
|
2023-09-13 09:29:56 -06:00 |
|
|
|
d6d65f001a
|
enforce atom z coords = 0.0 for 2d simulations
|
2023-09-06 09:04:10 -06:00 |
|
|
|
1ed8dd6906
|
add general triclinic options to dump custom
|
2023-09-04 15:26:55 -06:00 |
|
|
|
db72d4b73a
|
add general tri options to read and write data commands and Domain class
|
2023-08-31 14:34:37 -06:00 |
|
|
|
27aa6898f8
|
modernize access for fixes and computes
|
2023-07-16 20:24:22 -04:00 |
|
|
|
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 |
|
|
|
a0461d29dd
|
Update atom.cpp
|
2023-05-31 17:04:49 -04:00 |
|
|
|
088d870e20
|
check remaining per-atom initializations
|
2023-05-30 17:17:54 -04:00 |
|
|
|
c934208a4a
|
only update ivector if it still exists
|
2023-05-28 14:07:25 -04:00 |
|
|
|
8414d23c2b
|
use symbolic constants
|
2023-05-12 18:04:37 -04:00 |
|
|
|
a4d56b56ab
|
Fix bug in atom sorting with triclinic boxes
|
2023-04-27 10:27:38 -06:00 |
|
