af1fc45db0
added citation to doc
2017-10-03 00:04:52 -04:00
b34109af60
formatting changes
2017-10-02 23:43:31 -04:00
1dffb0cf82
reran npt_biaxial examples
2017-10-02 23:27:10 -04:00
588b2534c9
Minor fix for FixNHUef constructor
2017-10-02 23:26:21 -04:00
00aef0fe00
rerun logfiles for USER-UEF example inputs
2017-10-02 17:40:46 -04:00
92d9b361fc
include USER-UEF styles in PDF version of manual
2017-10-02 17:39:59 -04:00
8acdc8020d
add USER-UEF classes to .gitignore
2017-10-02 17:24:36 -04:00
cc09a633a2
small code refactor for FixNHUef class
...
- use forward declaration for UEFBox to avoid having to include custom header
- remove uef_arg_kludge() thanks to changes in 0c7879e902
2017-10-02 17:19:42 -04:00
81be9b37de
formatting, whitespace and include file/constants cleanup
2017-10-02 17:15:13 -04:00
0c7879e902
provide compatibility entries in FixNH option parsing for new USER-UEF package
2017-10-02 16:31:41 -04:00
4524b0fa83
rename arg_kludge to uef_arg_kludge
2017-09-29 16:54:46 -04:00
4ef63feea7
reran examples
2017-09-29 15:50:31 -04:00
2a06b75af8
doc revisions
2017-09-29 15:36:41 -04:00
a64040ce2d
citeme
2017-09-28 18:33:04 -04:00
480b087c93
doc edits, README, and citeme
2017-09-28 18:31:51 -04:00
0029583463
doc edits i missed in earlier commit
2017-09-28 17:46:39 -04:00
c0f1a32661
fixed namespace issue
2017-09-28 17:43:59 -04:00
80898b8695
first draft of doc done
2017-09-28 17:42:02 -04:00
855b6000ef
initial commit. doc is in the works
2017-09-28 16:34:18 -04:00
f2c1172741
patch 22Sep17
2017-09-22 15:46:34 -06:00
bcde318ccb
Merge pull request #659 from stanmoore1/kk_border_comm
...
Enhance Kokkos communication logic
2017-09-22 13:47:44 -06:00
3ed39ca844
Make Kokkos comm give warning and switch to classic comm instead of erroring out
2017-09-22 13:03:24 -06:00
ee487ef4aa
Merge pull request #652 from junghans/latte
...
Add LATTE fix
2017-09-22 10:32:19 -06:00
a8ae886667
update fix latte examples and virial
2017-09-21 10:40:54 -06:00
5e35ab251b
fixed sucrose
2017-09-20 17:11:49 -06:00
d708e34ba6
cmake: download/build latte if not found
2017-09-20 12:01:26 -06:00
638b91bf74
Merge pull request #657 from lammps/snap-potentials
...
new SNAP potentials and examples
2017-09-20 09:34:51 -06:00
ad25a95297
whitespace cleanup
2017-09-20 11:13:13 -04:00
e7d042ba1a
convert DOS/Windows CR-LF line endings to native format
2017-09-20 11:12:58 -04:00
dd49d54889
new SNAP potentials and examples
2017-09-20 08:54:30 -06:00
fbaa7ab8fa
Merge pull request #655 from akohlmey/fixes-for-patch
...
collected small bugfixes for the next patch release
2017-09-20 08:51:47 -06:00
2e9803efb3
Merge pull request #645 from akohlmey/kokkos-makefile-updates
...
Some small kokkos makefile updates
2017-09-20 08:40:20 -06:00
59d2e13d48
add .gitignore and add Makefile.lammps.* symlinks to stay consistent with other libraries
2017-09-19 19:06:02 -04:00
76d93f21dd
add fix latte command to doc pages
2017-09-19 16:55:08 -06:00
ac897ea645
LATTE package doc update and some small code changes
2017-09-19 16:27:25 -06:00
19f1f3a3e0
correct USER-INTEL installer script for verlet_lrt_intel files
2017-09-19 11:48:27 -04:00
be96486d66
compile all objects in the GPU library with -fPIC for building shared object
2017-09-19 11:24:48 -04:00
48dd824b26
ignore generated header files with OpenCL kernels
2017-09-19 11:24:38 -04:00
cdb6ec7419
reverse the pre-processor logic of the LRT mode define
...
with this change, the USER-INTEL package can be installed and
compiled without having to alter makefiles for adding -lpthread.
All "intel optimized" makefiles have been updated to have the
LRT feature enabled. This change will allow us to include the
USER-INTEL package in several automated testing configurations
and thus allows to detect incompatibilities and compilation issus faster.
2017-09-19 11:24:05 -04:00
aad8cd10ff
allow fix viscous to be used with dynamic groups
2017-09-18 18:08:57 -04:00
1ac90815f3
fix external only needs to collect virial in case it is requested
2017-09-17 23:59:34 -04:00
5f1842829e
activate virial contribution in fix lb/rigid/pc/sphere by default and protect virial computation with evflag
2017-09-17 21:10:41 -04:00
66130f5557
whether virial contributions from fixes are included depend on thermo_virial, not virial_flag.
2017-09-17 20:50:22 -04:00
388eab5eeb
correctly initialize thermo_virial in fix poems and protect access to vflag_XXX by checking for evflag !=0
2017-09-17 20:49:41 -04:00
a500048c9c
remove bogus version of temper/npt command
2017-09-17 19:25:22 -04:00
b4ecad7fbf
remove another couple of purge items from long ago
2017-09-17 19:22:43 -04:00
b5894e2190
automatically call 'make purge' before calling 'make package-update' or 'make package-overwrite'
2017-09-17 19:19:45 -04:00
6f1935ea40
correct embarrassing typo
...
this always happens after too much exposure to fortran codes. :-(
2017-09-15 21:58:47 -04:00
02665e45a4
fix doc in lib/latte/Makefile.lammps.*
2017-09-15 17:52:14 -06:00
cc2a53a8da
Merge branch 'exaalt' of gitlab.com:exaalt/lammps into latte
2017-09-15 17:43:48 -06:00
