442eeb9f52
support special case where number of data lines from fix is number of added atoms
2022-11-19 14:06:16 -05:00
b39842ba23
avoid segfault when reading beyond the provided number of lines
2022-11-19 14:00:22 -05:00
248b7383c7
Merge remote-tracking branch 'github/develop' into collected-small-changes
...
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
2022-10-24 15:50:50 -04:00
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
aa0bd180d1
apply clang-format
2022-10-14 09:24:49 -04:00
211d5c468e
fixing merge conflicts
2022-09-15 14:49:21 -06:00
7e6bd892ed
apply clang-format
2022-09-10 03:29:32 -04:00
1d0db98403
Fixing merge conflicts
2022-09-03 12:35:32 -06:00
2084e18ad2
Removing junk copied during write_data
2022-06-13 12:46:29 -06:00
89195363d6
whitespace
2022-04-18 21:20:13 -04:00
f8f2b9542e
sync with current develop
2022-04-18 17:29:23 -06:00
0f1097d7e6
recover read_restart and read_data capability for fix property/atom
2022-04-13 12:41:40 -04:00
ef4e41d2a2
programming style and format updates
2022-04-12 22:52:07 -04:00
36723853c9
Merge branch 'develop' into BPM
2022-04-11 12:18:34 -04:00
c4729b39b4
replace more uses of XXXINT_FORMAT with fmtlib
2022-03-30 13:53:25 -04:00
455cb09cf4
Adding compatability with MC fixes, set_array to property/atom, faster update/special/bonds, single methods, and misc small changes
2021-12-08 16:47:42 -07:00
d7f7835069
Fix merge conflicts, minor style fixes
2021-11-01 18:13:06 -06:00
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
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
7d92d665e8
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
5e0c754d04
Fixing style issues
2021-09-09 14:17:39 -06:00
0e72aae0a3
Adding examples and misc bug fixes
2021-09-08 18:39:56 -06:00
d2984d2615
Merge branch 'master' into BPM
2021-08-27 10:04:04 -06:00
bb720626e3
Adding files for BPM
2021-08-27 09:22:56 -06:00
42a3a7d10f
Merge branch 'master' into collected-small-changes
...
# Conflicts:
# src/fix_property_atom.cpp
2021-08-26 21:14:23 -04:00
ab8c9851b2
change style to styles to remove override of fix->style string
2021-08-26 15:20:52 -06:00
9f46071226
fix example problems
2021-08-26 15:09:27 -06:00
b2b807f9b9
initial version of AMOEBA/HIPPO force field files
2021-08-25 13:53:31 -06:00
dfc03bd107
avoid 32bit integer overflow on 64-bit storage sizes
2021-08-24 15:49:41 -04:00
1a81a94dfb
fix up whitespace issues (remove tabs, trailing whitespace)
2021-08-20 15:00:19 -04:00
c53875421b
fix read_data bug
2021-08-18 22:50:42 -04:00
b942c4d122
fix data corruption bug affecting write_data
2021-08-18 22:31:46 -04:00
d9f3745eff
pretty
2021-08-18 20:26:01 -04:00
546c9a109e
fix uninitialized data bug
2021-08-18 20:25:49 -04:00
0a99d338f2
update argument parsing
2021-08-18 14:35:02 -04:00
e08c4abb4b
whitespace fixes
2021-08-18 13:06:00 -04:00
c50abed92b
recover compilation
2021-08-18 12:59:31 -04:00
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
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
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
4b076e01be
silence compiler warning
2021-03-22 21:36:33 -04:00
a6e6f43d55
write a comment to the custom data file section with the column assignment
2021-03-14 15:36:09 -04:00
3642dcfedb
use ValueTokenizer for parsing fix property/atom sections of data files
2021-03-14 15:35:12 -04:00
826c618aa9
replace a few more cases of atoi()/atof() with utils::*numeric() functions
2021-02-21 15:09:50 -05:00
cf427bcad8
apply utils::strdup() in a few more cases
2021-02-04 17:52:32 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
0b14770468
merge with current master
2021-01-11 16:13:33 -07:00
