054ff97a51
replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes
2019-07-10 00:27:31 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
...
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
b469ff6791
need to include 'force.h' header for conversion functions
2019-07-07 16:06:30 -04:00
15e1b39531
validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi()
2019-07-07 15:52:21 -04:00
a0bc619550
Need to call atomKK version of sync/modified in Kokkos atom_vec styles
2019-05-21 09:21:55 -06:00
618547b72e
Reduce DELTA and revert subview change
2019-04-09 14:40:39 -06:00
a01bce46bb
Reduce GPU/CPU data transfer
2019-04-09 10:23:37 -06:00
8224c89f93
Revert size_velocity change in atom_vec_dpd_kokkos
2018-10-11 16:38:44 -06:00
a223338b47
Fix hang with Kokkos and USER-DPD examples
2018-10-11 16:32:44 -06:00
96c5c92b1a
USER-DPD: bugfix for AtomVecDPD::unpack_restart() and the Kokkos version
...
Also, cleaned up UCG_MASK and UCGNEW_MASK usage in atom_vec_dpd_kokkos.cpp
Fixes a crash when using the python interface on a 2nd LAMMPS invocation
when using the restart (or replicate) commands, because of garbage
in the uCG and uCGnew arrays leftover from the previous LAMMPS invocation.
2018-05-09 15:00:10 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a6d10ba91d
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
15a3364c2c
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
d95a5f219e
Remove all thread fences except one in verlet_kokkos
2017-08-31 10:38:36 -06:00
03c05537fb
Merge branch 'USER-DPD_kokkos' into USER-DPD_kokkos_ssa_debug
2017-03-01 15:49:12 -05:00
8210b25fb8
USER-DPD Kokkos: replicate 9a560b90 bugfix to atom_vec_dpd_kokkos.cpp
2017-03-01 15:34:24 -05:00
aecafecaa2
USER-DPD: fix missing host prefixes in AtomVecDPDKokkos::pack_comm
2017-02-24 13:21:26 -05:00
7feb6c2853
USER-DPD: fix a bug in AtomVecDPDKokkos::unpack_restart()
2017-02-22 15:08:23 -05:00
a1f4551ac2
Adding missing sync/modified in atom_vec_dpd_kokkos
2017-01-27 10:18:41 -07:00
2d32fa8ccb
Fixing GPU memory issues in atom_vec_dpd_kokkos
2017-01-18 12:53:40 -07:00
5569c4c130
Fixing GPU memory issue with fix_property_atom_kokkos
2017-01-17 16:19:25 -07:00
c0d6cbbdd3
Updates to Kokkos files
2016-12-15 11:18:50 -07:00
7590791604
Integrating atom_vec_dpd into the Kokkos package
2016-11-21 13:54:14 -07:00
