cee7cd5fe9
consolidate enumerator for per-atom array data types
2020-06-07 11:44:42 -04:00
4f804f58e3
Merge remote-tracking branch 'origin/master' into refactor-table-reading
2020-06-05 16:41:05 -04:00
7df387f7d5
Merge remote-tracking branch 'origin/master' into refactor-table-reading
2020-06-05 12:09:57 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
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# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
9291d2a9d7
Simplify count_words, add trim_and_count_words
...
The original count_words function (before it was put into utils::) also trimmed
comments. For compatibility this behaviour was retained at first. However, due
to the name the trimming is not immediatly apparent and many times not
wanted.
Therefore, this commit replaces count_words with an implementation that
just does what it says. If a comment should be trimmed there is a
trim_comment function. For convenience, a trim_and_count_words function was
added and is now used where the old behaviour was needed.
2020-06-04 11:13:37 -04:00
97e69abcda
get rid of snprintf() and local buffers in atom style creation
2020-06-04 10:45:24 -04:00
dd11fb3964
remove .c_str() and simplify output in several places
2020-06-03 16:37:30 -04:00
4a2d3e95cb
Replace Atom::count_words with utils::count_words
2020-05-20 15:53:19 -04:00
3d0186987d
simplify
2020-05-11 18:31:07 -04:00
987bff27d4
fix issues in AtomVec refactoring detected by compiler warnings
2020-05-10 14:05:32 -04:00
ab1ecdccfc
fix typo in comment
2020-05-01 14:34:35 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
4eb4839f6d
renaming of variables and command names in USER-SPH
2020-04-30 16:40:09 -06:00
ecd3652f61
update to current master
2020-04-30 11:57:17 -06:00
dae2bce6b0
we can use error->all() and also check the coordinate conversion for valid data
2020-03-17 16:53:22 -04:00
a7d2847140
parse image flags only for valid numbers and requize imz == 0 for 2d-systems
2020-03-17 16:43:34 -04:00
bf62646977
add check for required atom properties to USER-SDPD
2020-02-25 14:08:55 +01:00
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
9e52980aaa
all of remaining USER package styles except AWPMD
2019-12-03 11:15:16 -07:00
4f6cb13592
added atom styles with bonus data, also a few USER packages
2019-11-27 16:03:50 -07:00
6c18e366d7
changes to start to make atom style hybrid work
2019-11-26 18:34:51 -07:00
3736af0aaf
initial refactoring on AtomVec class
2019-11-26 13:42:32 -07:00
595aa7dff3
fix segfault in atom map hash when using "clear".
2019-10-17 09:29:21 -04:00
a50d57bceb
Merge branch 'master' into improve-include-consistency
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# Conflicts:
# src/utils.cpp
2019-07-19 17:57:58 -04:00
8526e7a4cd
checking return value of ?scanf() calls to detect problems parsing files
2019-07-19 11:14:39 -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
932f052cbf
more header cleanup
2019-06-27 20:52:23 -04:00
48220b39b5
include <cstdio> explicitly in .cpp files, though
2019-06-27 11:48:34 -04:00
333bec0222
headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
2019-06-27 10:12:53 -04:00
f190647ab4
use snprintf() instead of sprintf() to avoid buffer overflows when copying style names
2019-06-21 21:23:20 -04:00
daa53e3008
Merge pull request #1469 from julient31/pppm_spin
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Adding PPPM and Ewald solvers for electric dipoles and magnetic spins
2019-06-12 14:50:18 -04:00
a696b26301
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
2019-04-19 15:02:25 -06:00
d640c712f8
apply new utility function to most places creating new styles
2019-04-07 21:18:20 -04:00
9cc7bea05d
bugfix for changes in #1340
2019-02-27 16:09:46 -05:00
09de4fb953
add support for checking consistency of atom bonus data
2019-02-17 15:01:13 -05:00
b417cfda9b
removed dead code and reduce compiler warnings about unused parameters
2019-02-03 11:36:41 -05:00
cf00346db4
detect when something tries to delete a callback that was never added
2019-01-10 16:52:40 -05:00
2d4411130f
ensure that binsize is initialized in all cases
2018-12-28 01:01:07 -05:00
ea6d8a5dca
replace hard crash with disabling atom sorting, when no suitable binsize is found
2018-11-29 01:38:04 -05:00
78301e5e93
Merge branch 'master' into cslib
2018-08-31 16:30:28 -06:00
cf1d421e10
Commit JT 082318
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- corrected memory errors in pppm_dipole and pppm_dipole_spin
- created fm_long in atom_vec_spin
- fm_long added to fm in initial_integrate (in ComputeInteractionsSpin)
2018-08-23 15:18:30 -06:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
2f55981224
new MESSAGE package for client/server/coupling
2018-07-23 15:58:33 -06:00
da5931d65d
whitespace cleanup
2018-06-18 17:55:12 -04:00
b189a328ed
source code formatting cleanups
2018-06-18 17:00:23 -04:00
9dda907f7d
Commit JT 060118 Changes Stan
2018-06-01 15:19:27 -06:00
1641f78e3e
Merge from lammps master
2018-05-21 16:06:53 -06:00
71e1867dd2
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
