4c15ac99a3
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
1afa56e0da
expand_type_int: optional flag to check types
...
verifying type could probably be default, except for historical reasons
would involve removing redundant checks after calling routine
2024-08-18 22:39:01 -06:00
5da737fd11
must not set tip4p atom and bond types when restarting from a restart file
2024-08-13 16:07:20 -04:00
6203738dcb
proposed solution
...
bit of trickery to allow type labels to be used before they are defined
2024-08-08 00:05:20 -04:00
3f79b7e493
Update pair_lj_cut_tip4p_long.cpp
2024-08-05 19:52:03 -04:00
f6ce3ae45e
some more constant cleanups
2024-02-06 05:13:12 -05:00
248b7383c7
Merge remote-tracking branch 'github/develop' into collected-small-changes
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# 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
3bf0595078
Increase communication cutoff for TIP4P pair styles, if needed
...
This avoids error of H atom not found when the O atom is a ghost.
2022-10-12 16:16:09 -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
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
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
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
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
61ed3b65b7
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
51fc386e72
correct the inner loop range for resetting cutoffs when redefining a pair style
...
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
2017-05-16 00:26:18 -04:00
f6a819580c
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
3f3446e8dd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-07 14:23:14 +00:00
3dace181b7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-01 14:42:16 +00:00
e8dd5814f3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-30 17:37:50 +00:00
32d641d3f9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-16 20:57:10 +00:00
f461504c93
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-18 15:25:28 +00:00
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
8ff753d958
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-22 17:14:39 +00:00
42408bc41d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-23 15:18:51 +00:00
2dbe3f80a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:02:55 +00:00
1cdaba9662
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9619 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-07 22:06:44 +00:00
c949b368e1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9612 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-07 20:47:23 +00:00
e27125f93e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8908 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-05 15:21:35 +00:00
64672be150
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8886 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-03 15:03:45 +00:00
