d57e1be942
avoid division by zero in angle style dipole
2023-07-04 08:13:06 -04:00
44ff363169
Removed the class member variable mu in the AtomVecDipoleKokkos that shadows the parent's variable mu, now as protected
2023-02-02 15:31:10 -06:00
7b0153eee6
Added lj/cut/dipole/cut/kk and lj/expand/coul/long/kk, added AtomVecKokkos, enabled FixNVESphereKokkos to update dipole
2023-01-28 00:34:55 -06:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
3b2376d0bb
use virtual inheritance consistently for all atom styles
2022-12-12 20:37:30 -05:00
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
0af2f153de
check for and replace *really* old LAMMPS home page URL. apply fixes.
2022-10-20 20:07:12 -04:00
78c10bac4a
clang-format update
2022-04-23 13:08:11 -04:00
115962db88
Merge branch 'develop' into remove-error-docs-in-header
2022-04-23 12:46:54 -04:00
79a7d2abf6
remove error docs from header files
2022-04-22 23:31:15 -04:00
47564ab6bc
Merge branch 'develop' into region-lookup-refactor
2022-04-22 22:11:41 -04:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
095c610a3f
no more need to explicitly initialize empty fields
2022-04-14 12:00:56 -04:00
b16d48aa41
"stringify" and "vectorize" processing of per-atom attributs in AtomVec classes
2022-04-14 11:06:10 -04:00
dfbeedfded
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
06beb28d7d
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
4e89488f27
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
b45a6d7720
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
9a19a814e4
apply clang-format to packages
2021-08-23 21:06:33 -04:00
384330aff2
update/correct extract function
2021-08-21 20:31:02 -04:00
1c7bf82930
initialize scale array
2021-08-21 20:30:38 -04:00
4032c6da98
fix restart bug
2021-08-21 20:30:15 -04:00
ad5cc694dc
correctly check for and enable/disable dipole and dispersion support
2021-08-21 15:18:44 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
2e0ed643e4
update and reformat
2021-07-09 16:54:18 -04:00
6571a84884
move some styles around
2021-07-09 16:54:00 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7fcd449864
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
a1665fddc8
next iteration of preparing for clang-format
2021-04-30 13:51:14 -04:00
980244dd0c
add protection comments
2021-04-27 22:31:01 -04:00
df7fe4431f
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
49bc05aa1b
replace use of math_vector.h with math_extra.h in some more pair styles
2021-01-15 17:25:44 -05:00
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
55704368d0
include updates for commonly used packages
2020-09-03 01:45:05 -04:00
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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
e860779fa0
formatting update
2020-08-04 07:17:28 -04:00
357716ec4c
correctly check of mu and torque flags as those data structures are always accessed.
2020-08-04 07:17:12 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
b6374bacfb
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
ccca80a6a5
changes to enable atom_style hybrid to work
2019-12-02 15:39:54 -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
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
