2bf9fa91db
more changes to merge with current master
2021-08-17 14:03:58 -06:00
e6af1eecb8
resolved merge conflicts with master
2021-08-17 11:55:33 -06:00
68c15ebf04
refactor/simplify code due to changes in Modify
2021-08-07 10:09:06 -04:00
3c0a2345cc
simplify, reformat, and better error messages
2021-07-18 16:42:43 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
8a49bf3a31
fix missing argument bug in velocity code and simplify a second case
2021-04-23 18:47:02 -04:00
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
1f50557b38
Adopt utils::strdup in dump styles
2021-03-19 15:34:43 -04:00
5d4614b626
Correct vformat for bigint in dump_custom.cpp
2021-03-19 14:10:20 -04:00
dbf7b9c24a
simplify and get rid of strtok()
2021-03-15 11:28:25 -04:00
9fa1688f39
small corrections for dump custom
2021-02-03 21:06:04 -05:00
2f7d6672df
more files with ArgInfo support added
2021-02-03 16:39:01 -05:00
c2c8c5e493
Merge remote-tracking branch 'github/master' into arg-info-class
...
# Conflicts:
# src/compute_chunk_atom.cpp
# src/compute_chunk_spread_atom.cpp
# src/compute_reduce.cpp
# src/compute_reduce_region.cpp
# src/compute_slice.cpp
# src/fix_ave_atom.cpp
2021-02-02 11:33:01 -05:00
55da46f3e3
add ArgInfo support to some dump styles
2021-02-01 10:12:03 -05:00
3b9f3d989e
IDs are immutable strings
2021-02-01 09:08:07 -05:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
0b14770468
merge with current master
2021-01-11 16:13:33 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
d0ac698a41
must not assume that size_one == nfield in DumpCustom since DumpVTK changes it
...
this changes all loops over format strings and output types to using nfield
2020-10-13 15:28:02 -04:00
ea3af3c2bc
resolve delete/free() mismatch
2020-10-01 09:34:38 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
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Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
d1442b0538
enable per-atom custom arrays in addition to vectors
2020-09-04 11:33:49 -06:00
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
741a1d1fc9
move Input::expand_args() to utils::expand_args()
2020-08-29 18:32:10 -04:00
eab8652d3a
Fix triclinic binary header in dump custom
2020-08-13 17:40:44 -04:00
fbcc97586f
Update binary format of dump custom
2020-08-13 14:45:22 -04:00
1fb7ba9e4b
Add tests for dump_custom
2020-08-13 12:35:47 -04:00
a1c0b78a3a
final set of styles in the src folder to be simplified
2020-06-28 23:25:37 -04:00
3af7ce17f4
don't segfault if some derived class deletes the list of user format strings
2019-10-30 13:53:09 -04:00
01214de6bd
add support for adding an ITEM: TIME output to some dump files
2019-09-30 11:03:22 -04:00
e413aaf217
add support for optionally including unit information in standard dump files
2019-09-12 14:37:42 -04:00
15d2e1b260
consistent formatting
2019-09-10 09:36:17 -04:00
cd846e1bbb
add ITEM: UNITS line to native text format dumps
2019-09-10 09:18:38 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
31cbccda85
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
7238d4af94
Fix logic warnings ( #1076 )
2018-08-23 10:08:36 -06:00
ec99b0957c
new ARM makefiles, also some doc tweaks
2018-06-29 08:06:51 -06:00
83ae0ad26f
remove unused code
2018-06-18 17:47:59 -04:00
9dda907f7d
Commit JT 060118 Changes Stan
2018-06-01 15:19:27 -06:00
1641f78e3e
Merge from lammps master
2018-05-21 16:06:53 -06:00
ca6920be72
Merge pull request #907 from akohlmey/dump_maxfile
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Implement 'dump_modify maxfiles' feature
2018-05-12 12:59:33 -06:00
075598b405
port dump_modify maxfiles option to COMPRESS and MPIIO package
2018-05-10 23:44:27 -04:00
1224296365
move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h
2018-05-10 01:09:04 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a315599bac
Commit modifs before release 1 (03/26/18)
2018-04-26 15:26:31 -06:00
9b0f8a0c55
First commit for the SPIN package.
...
Changes to come:
-Exchange interaction computation to check (loop on neighbors),
-Temperature/random fluctuations to correct (effects too strong),
-Physical results to check,
-Add final interactions (DMI, ME, Dipolar),
-Compute spin temperature (Nurdin and Ma formslisms),
-Work on MPI parallelization,
-Ewald sums to implement (see with Stan's pakage),
-See for prefered magnetic axis (Mitchell's idea),
2018-04-26 13:08:54 -06:00
