49ac79fcdd
change error checks for computes that are not current
2023-05-08 08:55:40 -06:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
1556460b8f
silence bogus warning about atom IDs with dump image/movie
2023-01-07 15:18:29 -05:00
dc7bf29c09
whitespace fixes
2022-12-16 05:08:07 -05:00
6b2b3765c2
fix valgrind issues
2022-12-15 08:48:27 -07:00
f99ac7dc88
bug fix for 2d grid corners
2022-12-14 16:14:05 -07:00
4efe379b7b
tweak dump image settings for better viz of grid cells
2022-12-14 15:41:01 -07:00
65488ca217
silence compiler warnings
2022-12-01 10:51:04 -05:00
87a0833edd
whitespace fixes
2022-12-01 10:12:14 -05:00
9ab4c65f31
more work on dump image
2022-11-22 16:40:39 -07:00
3683f144a6
fixed compile issue
2022-11-17 16:32:15 -07:00
c9b431214c
more work on dump image
2022-11-17 15:56:15 -07:00
df5cfd18eb
start adding support for dump image of grid cell values
2022-11-16 15:35:21 -07:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
8fe7b928a7
use newer APIs to get access to fixes and computes
2022-03-18 13:16:18 -04:00
58030009da
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
4c0192cae1
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
dc6e558191
use Tokenizer class to parse bond colors
2022-01-16 20:20:07 -05:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -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
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
63110fd588
replace use of strtok() with Tokenizer class
2021-03-15 12:02:38 -04:00
24bf1e5b0c
make use of utils::strdup()
2021-02-04 17:33:02 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
405c1b98c5
remove inactive code and documentation for dump image persp option
2020-09-28 08:19:26 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
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
1fc3b4618c
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
f4d0aa3393
correct cut-n-paste bug reported by Massimo Pica Ciamarra on lammps-users
2017-10-27 11:25:57 -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
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
cff65b956a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15355 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-22 22:52:03 +00:00
2f09c2755a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15309 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-14 19:42:39 +00:00
