4b842d52e6
Merge branch 'develop' into type-labels
2022-08-22 10:45:48 -04:00
92c9614429
Merge branch 'develop' into refactor-find-xxx
...
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
2022-08-17 15:48:26 -04:00
f592e3184e
simplify Molecule::check_attributes()
2022-08-13 16:56:53 -04:00
a4faa3aced
modernize using get_fix_by_id()
2022-08-13 01:49:00 -04:00
363b80f85c
begin unfeaturing multiple label maps feature
2022-08-09 01:01:31 -04:00
f9717049b1
Merge branch 'develop' into type-labels
2022-08-08 17:16:50 -04:00
97fab45f7e
Merge branch 'develop' into amoeba-ak
2022-05-28 05:24:02 -04:00
f0f6660050
join lines
2022-05-26 12:15:27 -04:00
929734ce45
Merge remote-tracking branch 'github/develop' into amoeba-ak
...
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
2022-04-28 20:08:18 -04:00
13664a0185
add utility to print url with pointer to error message
2022-04-22 05:25:50 -04:00
f8f2b9542e
sync with current develop
2022-04-18 17:29:23 -06:00
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
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
f3fa04ae0a
bugfix
2022-03-30 15:01:03 -04:00
999c880dfd
simplify parsing numbers and reduce usage of BIGINT_FORMAT
2022-03-30 07:12:25 -04:00
e13a70ad2f
Merge branch 'develop' into type-labels
2022-03-23 01:08:35 -04:00
bbe065e649
initial version of fix pitorsion
2022-03-09 15:37:19 -07:00
844ea0ab8e
UB testing
2022-03-08 15:37:16 -07:00
3bc91386a0
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
4104353d7a
plug memory leak
2022-01-20 16:55:59 -05:00
9efa2369dd
join wrapped strings
2021-12-31 14:34:24 -05:00
c17a183816
do error checking already in read_data code
2021-12-31 14:34:09 -05:00
863de683ee
do not shadow "natoms" class member
2021-12-31 13:43:56 -05:00
83a978d69b
error messages
2021-12-07 23:32:14 -05:00
ee9ea4f80f
whitespace
2021-12-06 23:08:30 -05:00
76eb4f8057
Update the implementation & typelabels interface
...
Update the typelabels interface in the code and update the
LabelMap use based on class changes.
2021-11-28 18:55:55 -06:00
5bc399c22b
force unique labels in data file
...
note: not possible to create duplicate label in a second data file (if duplicate, assigns to existing label)
still need to enforce unique labels when using labelmap command
2021-11-07 01:01:41 -04:00
049895b3e4
correct merge conflict
2021-11-05 01:11:08 -04:00
8d4956046b
Merge branch 'develop' of https://github.com/lammps/lammps into lammps-develop
2021-11-04 21:20:29 -04:00
adf1beea74
add mechanism to check for known data file section names
...
using this mechanism we can reject custom section names that will
conflict with existing section names and thus avoid misleading errors.
apply this also to fix property atom, where the section name is
determined by the fix ID.
in addition, allow to specify NULL as section name, which will use
the fix ID.
2021-10-28 14:23:27 -04:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
f4851e9103
change check for reset image flags to print messages only once per data file
2021-10-13 21:54:18 -04:00
6a9bb577cf
rename "zip" functions to "compress" functions. update related docs
2021-10-07 12:38:11 -04:00
ec1a55b35b
use platform code for reading/writing of compressed text file via a pipe
2021-10-06 15:04:48 -04:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
37bfe3d0ce
integrate platform sub-namespace into source code and documentation
...
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
2021-10-02 16:55:11 -04:00
67ae6eb7b6
Merge branch 'lammps:master' into type-labels
2021-09-30 09:44:18 -04:00
973cf017a9
do not call memset on a null pointer
2021-09-24 15:32:59 -04:00
f7bd07b3e6
whitespace
2021-09-18 17:03:03 -04:00
c63d6ce790
minor update
2021-09-15 07:07:48 -05:00
ee166cbe85
remove extra white space
2021-09-01 13:15:41 -05:00
edfac22f39
memory leak
2021-08-28 15:56:14 -04:00
2a06484511
Merge branch 'master' of https://github.com/lammps/lammps into lammps-master2
2021-08-20 10:53:04 -04:00
9470a0eeb6
clarified doc pages for fix property/atom and read_data
2021-08-19 11:34:25 -06:00
b124de3484
Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
2021-06-07 22:48:51 -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
a9ff9312d6
Merge remote-tracking branch 'origin/master' into varargs-log-error-functions
2021-04-28 18:13:31 -04:00
7b1b57aa9b
rename utils::fgets_trunc_nl() to utils::fgets_trunc()
2021-04-27 18:32:51 -04:00
15cff295c0
change read_data to use new utility function
2021-04-27 16:14:08 -04:00
