17c099488a
remove unused variables
2024-05-13 20:20:03 -04:00
3028b6f34c
clean up of docs and code
2024-05-06 19:16:06 -06:00
1c11de8a64
comment tweak
2024-05-06 16:47:38 -06:00
a4449fb6ff
modified doc page, added examples
2024-05-06 16:44:45 -06:00
0951e28a08
Merge branch 'develop' into replicate_periodic_box
2024-02-13 18:52:43 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
4bda4621bb
check whether total number of replica is too large for 32-bit int
2024-01-11 11:12:27 -05:00
ad7b5e38ab
Merge branch 'develop' into replicate_periodic_box
2024-01-10 20:01:42 -05:00
a3d44e0048
make map types to merge explicit
2023-12-02 05:13:44 -05:00
303f365435
Added reference to the related enum in the Atom class.
2023-12-01 17:12:15 +01:00
d57979eede
Merge branch 'develop' of github.com:lammps/lammps into replicate_labelmap
2023-11-28 12:09:57 +01:00
dcb4127631
Added label map copy to replicate.cpp
2023-11-28 12:05:51 +01:00
bcfbea9903
throw error for illegal replication values
2023-11-15 08:03:15 -05:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -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
260db06f3e
cosmetic
2022-10-20 17:36:54 -04:00
cbec6cdc6c
more detailed log message with replicate
2022-10-19 02:44:41 -04:00
f024abfe34
make simpler, faster, more self-contained
...
(and fix bugs)
2022-06-07 11:10:36 -04:00
b4c58c9828
actually reset image flags
2022-04-22 21:19:53 -04:00
be6c41a85a
delete now-unused variable
2022-02-23 00:44:39 -05:00
200ea62fd3
simplify things
2022-02-13 15:22:13 -05:00
2c0a9cf572
better contain bondlist code
2022-02-13 15:06:10 -05:00
5c1486661c
revert now unnecessary edits
2022-02-13 14:53:16 -05:00
7288d78331
reset image flag for bondlist option
2022-02-13 14:06:19 -05:00
2a4dbe5bbc
bondlist_flag correction
2022-02-13 13:51:20 -05:00
22cca33966
typo
2022-02-07 18:02:17 -05:00
e384dfa424
'bondlist' option for replicate command
...
generalizes the command to work for periodic systems
2022-02-06 14:44:49 -05:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -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
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
ef858ae70f
silence compiler warnings
2021-04-23 16:19:57 -04:00
d2cdb318ab
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
8c4918457f
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
c7b39283b1
need to transfer molecule templates when using "replicate"
2020-10-29 05:58:39 -04:00
9f1526c66d
cannot currently use replicate command with atom style template
2020-10-28 15:42:50 -04:00
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
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
c7c4297cfc
update include handling for commands
2020-09-03 00:51:58 -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
8558e9bd45
fix bug when applying floating point output formatting to integers
2020-08-04 19:10:19 -04:00
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
bf37e6aae1
Merge branch 'master' into write-bonus-data
2020-07-15 15:20:34 -04:00
ed1bdb8ed4
update output formatting
2020-07-12 16:33:47 -04:00
