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
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
...
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
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
...
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
2aef3a0e96
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
a069d21621
Merge pull request #476 from akohlmey/dump_custom_bugfix
...
dump custom memory allocation bugfix
2017-05-11 09:27:08 -06:00
328ef873d8
fix mixed memory alloc bug in dump custom. this closes #475
2017-05-10 22:41:41 -04:00
c4ac5773cb
Fix segmentation fault in dump vtk
2017-05-10 19:51:14 -04:00
f8226e8ae5
NULL ptrs in dump_custom and dump_image
2016-11-07 15:56:47 +01:00
b221b15d24
NULLing ptrs in comm_brick and dump*.cpp
2016-11-07 15:50:18 +01:00
2106dce2b3
new fix halt command, other sundry small bug fixes
2016-10-18 13:11:40 -06:00
04f5eadcf1
added LAST option to dump_modify thresh, more restart info printed out to screen
2016-10-11 12:39:52 -06:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
6c8d3ed4e8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-09 14:10:55 +00:00
