e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
...
this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
9f7e309f07
small updates to MyPage and convert MyPoolChunk similar to MyPage
2020-09-08 15:13:16 -04:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
bc3860b462
must advance buffer while package bonus items, but only when a buffer is given
2020-07-14 12:45:22 -04:00
113825f8fc
silence compiler warning
2020-07-14 08:12:51 -04:00
20824203ab
Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data
2020-07-14 08:11:29 -04:00
18928c6602
start writing tester for body/nparticle
2020-07-14 08:11:18 -04:00
4b9c2ab1f1
start writing tester for body/nparticle
2020-07-14 07:21:25 -04:00
6e3e13f2a8
remove unused variable
2020-07-07 20:53:50 -04:00
e459ee8a58
whitespace fixes
2020-07-07 20:25:59 -04:00
955bff7c4e
add body support, change bonus buf to 1d so can be variable length
2020-07-07 11:34:30 -06:00
7918919d30
enable write_data for atom styles with bonus data
2020-07-06 17:30:45 -06:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
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
db6d272303
more additions to USER atom styles and bug fixes
2019-12-13 13:54:12 -07:00
ccca80a6a5
changes to enable atom_style hybrid to work
2019-12-02 15:39:54 -07:00
4f6cb13592
added atom styles with bonus data, also a few USER packages
2019-11-27 16:03:50 -07:00
2ca2d053fd
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
054ff97a51
replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes
2019-07-10 00:27:31 -04:00
93748a18ae
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
...
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
15e1b39531
validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi()
2019-07-07 15:52:21 -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
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
03099d6e54
some more include file consistency changes
2019-06-27 17:11:53 -04:00
d640c712f8
apply new utility function to most places creating new styles
2019-04-07 21:18:20 -04:00
318dd34737
correct cut-n-paste error
2019-02-17 15:00:04 -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
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
5cd856c97f
fix spring doc page update
2017-01-17 09:02:56 -07:00
9161bd98bf
fixed bug with pair hybrid/overaly and manybody potentials finding the right skip neighbor method
2016-12-21 09:50:29 -07:00
d291fcb5d9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15241 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 22:39:26 +00:00
f0179f6f90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 16:29:01 +00:00
d3f534f5cc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14419 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 22:00:09 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
047be536bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-02 20:39:55 +00:00
1af7b06052
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12827 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-12 00:20:19 +00:00
59971d1616
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11938 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 16:25:27 +00:00
4c9bba90f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 16:15:31 +00:00
