|
|
a8447b419d
|
fix bug causing memory corruption and clean up lmp_f2c.h header
|
2024-08-18 21:34:15 -04:00 |
|
|
|
133dee9ac1
|
Update Colvars library to version 2024-06-04
|
2024-08-06 01:07:43 +02:00 |
|
|
|
208216ba3d
|
Merge branch 'kokkos-amd-gfx1103-support' into collected-small-fixes
|
2024-07-30 08:46:22 -04:00 |
|
|
|
cb6e71b72f
|
fix typo
|
2024-07-30 08:46:01 -04:00 |
|
|
|
41254b26c7
|
backward compatibility not needed
|
2024-07-29 17:01:34 -04:00 |
|
|
|
e6a708d253
|
add support for AMD Phoenix APUs with HIP
|
2024-07-28 20:49:17 -04:00 |
|
|
|
26aba2c314
|
silence compiler warnings
|
2024-07-28 11:49:27 -04:00 |
|
|
|
5501f608f5
|
fix out of bound memory access bug detected by hipcc
|
2024-07-28 11:25:15 -04:00 |
|
|
|
1ed6e153b6
|
Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
|
2024-07-18 18:38:51 -04:00 |
|
|
|
f94b078936
|
use pkg-config instead of pkgconf consistently, since the latter comes with compatibility to the former
|
2024-07-03 21:21:35 -04:00 |
|
|
|
b6d11b5902
|
document GSL dependency and provide build instructions for RHEO package
|
2024-07-03 19:07:19 -04:00 |
|
|
|
96d58bb03e
|
automatically set include/libs flags for GSL, if pkg-config is available
|
2024-07-03 18:32:42 -04:00 |
|
|
|
e1232af867
|
Missing flag and changing dependencies
|
2024-07-03 16:12:17 -06:00 |
|
|
|
ece17cf56f
|
Adding rheo make support
|
2024-07-03 15:30:33 -06:00 |
|
|
|
778d11c79e
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
|
2024-06-19 14:46:04 -04:00 |
|
|
|
45508baee5
|
major refactor for restart, data file handling. removal of dead code.
|
2024-06-19 11:09:56 -04:00 |
|
|
|
f4005e350a
|
update fix plumed API version check and add reminder comments to build files
|
2024-06-17 07:11:56 -04:00 |
|
|
|
4be1b41aef
|
class n func rename
|
2024-06-17 10:03:06 +02:00 |
|
|
|
a4ac48addf
|
add example file and author contrib
|
2024-06-14 10:13:48 +02:00 |
|
|
|
575853b27a
|
correct headers' author
|
2024-06-13 17:11:54 +02:00 |
|
|
|
1b040d7108
|
white space fix
|
2024-06-13 13:49:18 +02:00 |
|
|
|
35cbc84329
|
Update lal_dpd_coul_slater_long.cpp
|
2024-06-13 10:25:56 +02:00 |
|
|
|
99263ed7d7
|
init_atomic with new pair name
|
2024-06-12 15:41:38 +02:00 |
|
|
|
3686a7fcf3
|
wrong cl / cubin header file names
|
2024-06-12 15:25:28 +02:00 |
|
|
|
84ed769ca3
|
changing the fix name and file names for coherence
|
2024-06-12 15:12:55 +02:00 |
|
|
|
7f1fbca66f
|
update lal_base_dpd for optional charged
|
2024-06-12 14:30:54 +02:00 |
|
|
|
e0c2009525
|
update conditions, comments, better eflag handle
|
2024-06-10 11:33:58 +02:00 |
|
|
|
43ce6b018a
|
update Plumed support for version 2.8.4 and 2.9.1
|
2024-06-09 01:30:35 -04:00 |
|
|
|
85c345cf2d
|
duplicate calc of r
|
2024-06-07 16:51:32 +02:00 |
|
|
|
f5b2eb3a80
|
Update lal_dpd_charged.cu
|
2024-06-07 15:16:54 +02:00 |
|
|
|
aadeb1149d
|
double host write, wrong dpd cond
|
2024-06-07 15:14:05 +02:00 |
|
|
|
afc8c752fd
|
wrong kernel params
|
2024-06-07 11:31:33 +02:00 |
|
|
|
001063250e
|
allocate extra_fields
|
2024-06-07 09:05:11 +02:00 |
|
|
|
7cb73ca1a1
|
maybe wrong scale
|
2024-06-06 11:23:38 +02:00 |
|
|
|
0da8be7525
|
Update lal_dpd_charged.cu
|
2024-06-06 11:20:21 +02:00 |
|
|
|
ce9f99e9c1
|
store_answersq for ecoul
|
2024-06-06 11:19:06 +02:00 |
|
|
|
71d8fe564f
|
wrong init var and still force...
|
2024-06-06 10:55:26 +02:00 |
|
|
|
06f1b1bffa
|
wrong names, old var del
|
2024-06-06 10:50:30 +02:00 |
|
|
|
7d2764da27
|
only dpd coef update
|
2024-06-06 10:42:09 +02:00 |
|
|
|
be298634b7
|
readdress force sp_cl
|
2024-06-06 10:40:13 +02:00 |
|
|
|
69309cab0c
|
header fix missing var
|
2024-06-06 10:36:31 +02:00 |
|
|
|
0e9fef01e7
|
class fix and header
|
2024-06-06 10:32:45 +02:00 |
|
|
|
c1db6a50ec
|
move eflag
|
2024-06-06 10:10:36 +02:00 |
|
|
|
8eefc0d305
|
debug scale_in ; n_stride
|
2024-06-06 09:58:11 +02:00 |
|
|
|
eb7f947a0c
|
cuda forces + init var
|
2024-06-05 17:49:27 +02:00 |
|
|
|
9ea57acf54
|
pack4 cutoffs
|
2024-06-05 11:40:24 +02:00 |
|
|
|
b187001f38
|
atom charge and dpd/slater cutoff passing
|
2024-06-04 19:13:56 +02:00 |
|
|
|
c69e905cd6
|
Merge branch 'dpd_charged' of https://github.com/Eddy-Barraud/lammps-custom into dpd_charged
|
2024-05-31 17:07:25 +02:00 |
|
|
|
9b14a880dc
|
charge pointer and corrections
|
2024-05-31 17:07:22 +02:00 |
|
|
|
154280899d
|
Merge branch 'lammps:develop' into dpd_charged
|
2024-05-31 15:24:08 +02:00 |
|
