9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
9f4a991fc5
move over doxygen comments for a few LAMMPS classes
2020-09-08 16:36:29 -04:00
d1442b0538
enable per-atom custom arrays in addition to vectors
2020-09-04 11:33:49 -06:00
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -04:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
1421817276
remove redundant includes
2020-09-02 17:54:29 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
bf37e6aae1
Merge branch 'master' into write-bonus-data
2020-07-15 15:20:34 -04:00
b33974cd19
add code to check for duplicate atom IDs in Bodies section
2020-07-14 12:44:50 -04:00
da66516dec
use references when creating styles
2020-07-13 09:40:58 -04:00
a43428fd1b
use auto to simplify
2020-07-07 22:19:07 -04:00
516a31796e
need to move destruction of base per-atom properties back to atom.cpp so we don't leak memory in read_restart and don't crash with replicate
2020-06-22 23:12:11 -04:00
08cb7664a3
renumber customization comments
2020-06-19 12:31:47 -04:00
4a447f1809
move deleting all array data associated with an atom style to AtomVec base class destructor
2020-06-19 12:31:31 -04:00
e52a05f525
whitespace fixes
2020-06-12 08:26:25 -04:00
e3f8af6cec
Merge remote-tracking branch 'github/master' into feature-cnt
2020-06-12 08:25:52 -04:00
cf5c748fb4
Merge branch 'master' into feature-cnt
2020-06-12 05:53:17 -04:00
883a6c5aa1
Addressing include conflict
2020-06-11 16:24:29 -06:00
e70f23cdcc
Switching to std::sort
2020-06-11 15:42:37 -06:00
ca424772df
Improving clarity of loops
2020-06-11 14:10:26 -06:00
006ada3a52
Sorting atom callback lists
2020-06-11 14:03:59 -06:00
cee7cd5fe9
consolidate enumerator for per-atom array data types
2020-06-07 11:44:42 -04:00
4f804f58e3
Merge remote-tracking branch 'origin/master' into refactor-table-reading
2020-06-05 16:41:05 -04:00
7df387f7d5
Merge remote-tracking branch 'origin/master' into refactor-table-reading
2020-06-05 12:09:57 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
...
# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
9291d2a9d7
Simplify count_words, add trim_and_count_words
...
The original count_words function (before it was put into utils::) also trimmed
comments. For compatibility this behaviour was retained at first. However, due
to the name the trimming is not immediatly apparent and many times not
wanted.
Therefore, this commit replaces count_words with an implementation that
just does what it says. If a comment should be trimmed there is a
trim_comment function. For convenience, a trim_and_count_words function was
added and is now used where the old behaviour was needed.
2020-06-04 11:13:37 -04:00
97e69abcda
get rid of snprintf() and local buffers in atom style creation
2020-06-04 10:45:24 -04:00
dd11fb3964
remove .c_str() and simplify output in several places
2020-06-03 16:37:30 -04:00
4a2d3e95cb
Replace Atom::count_words with utils::count_words
2020-05-20 15:53:19 -04:00
bddd6d5e84
update
2020-05-19 23:19:49 -04:00
ed43c1e22b
Merge branch 'master' into feature-cnt
2020-05-18 18:23:16 -04:00
3d0186987d
simplify
2020-05-11 18:31:07 -04:00
987bff27d4
fix issues in AtomVec refactoring detected by compiler warnings
2020-05-10 14:05:32 -04:00
ab1ecdccfc
fix typo in comment
2020-05-01 14:34:35 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
4eb4839f6d
renaming of variables and command names in USER-SPH
2020-04-30 16:40:09 -06:00
ecd3652f61
update to current master
2020-04-30 11:57:17 -06:00
c05e1871bf
style issues
2020-03-25 20:26:39 -04:00
fa4ef70829
code issues
2020-03-25 20:18:07 -04:00
a8fc2005d4
Merge branch 'master' into feature-cnt
2020-03-20 14:35:57 -04:00
53ccc4c607
fix code related issues
2020-03-20 14:21:24 -04:00
dae2bce6b0
we can use error->all() and also check the coordinate conversion for valid data
2020-03-17 16:53:22 -04:00
a7d2847140
parse image flags only for valid numbers and requize imz == 0 for 2d-systems
2020-03-17 16:43:34 -04:00
bdbbe00ec7
Merge branch 'master' into feature-cnt
2020-03-06 18:41:38 -05:00
bf62646977
add check for required atom properties to USER-SDPD
2020-02-25 14:08:55 +01:00
8c82c60f2f
fix of style related issues
2020-02-07 13:29:05 -05:00
0204bf286b
CNT package
...
The tubular potential model (TPM) force field for Carbon Nanotubes (CNTs) package.
2020-02-06 16:50:38 -05:00
ccc8f29d60
added support for USER-AWPMD package
2019-12-18 12:04:37 -07:00
b6374bacfb
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
