d79be293f5
move precomputation for factor_sqrt to individual Pair::compute() functions
...
the special_lj values may be changed for individual hybrid sub-styles
with pair_modify pair special. thus the factor_sqrt[] array may have
incorrect values when computed during Pair::init_style().
2025-02-24 08:19:28 -05:00
c6fdd8ddb6
get rid of some non-ASCII characters
2024-09-25 22:01:42 -04:00
09af3e0fac
initialize pointers in constructor. removed commented out code
2024-08-13 17:07:28 -04:00
fe13768fa4
remove unused class member
2024-06-21 01:16:50 -04:00
45508baee5
major refactor for restart, data file handling. removal of dead code.
2024-06-19 11:09:56 -04:00
4be1b41aef
class n func rename
2024-06-17 10:03:06 +02:00
575853b27a
correct headers' author
2024-06-13 17:11:54 +02:00
397dc9a7f6
build system and maintenance updates
2024-06-13 09:13:55 -04:00
1b040d7108
white space fix
2024-06-13 13:49:18 +02:00
84ed769ca3
changing the fix name and file names for coherence
2024-06-12 15:12:55 +02:00
e0c2009525
update conditions, comments, better eflag handle
2024-06-10 11:33:58 +02:00
fcdcf65995
creation + working CPU
...
new pair style dpd/charged which is the combination of dpd and coul/slater/long
Working on CPU, GPU in progress
2024-05-31 15:12:37 +02:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
9355b79b47
update dpd/ext styles in DPD-BASIC and OPENMP to correctly handle scaling for random force
2022-12-25 19:23:22 -05:00
feb33fdf3b
port dpd/ext pair styles to OPENMP package
2022-12-18 16:41:09 -05:00
aa31f85535
partial implementation for a fix to correctly apply exclusions with dpd pair styles
2022-12-18 11:38:07 -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
78c10bac4a
clang-format update
2022-04-23 13:08:11 -04:00
79a7d2abf6
remove error docs from header files
2022-04-22 23:31:15 -04:00
4ad8af629d
whitespace
2022-04-05 21:53:29 -04:00
fb76cb9a5c
updated virtual
2022-04-01 17:54:12 +02:00
5003c35963
have first cut of just pair-dpd
2022-03-30 16:22:26 +02:00
ddf93eb7ba
removed unused var
2022-03-30 15:42:09 +02:00
2517d1fb55
Converted DPD-BASIC-EXT to use Kokkos
2022-03-30 15:10:54 +02:00
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
58196d57f1
New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
2021-07-01 00:51:55 -04:00
