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Diffusion lammps (lammm-master) Graph

lammps/src/KSPACE
lammm-master

History Graph

CommitAuthorDetailsCommitted
6ed1f1df2f87Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 9 2016
9e20448834a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7… 
Feb 8 2016
0939eb1ee963sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7… 
Dec 15 2015
de060a56ad58Axel Kohlmeyer
Merge branch 'merge-pull-22' into lammps-icms 
Dec 11 2015
4099f540dd26crtrott
Fix an issue with usage of isfinite 
Dec 10 2015
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
cee848f94865sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7… 
Oct 23 2015
8a10c55a3b2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7… 
Oct 21 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
1be945d294cdAxel Kohlmeyer
some more tweaks and corrections for r-RESPA compute_outer() methods 
Oct 15 2015
fa60ce212390Axel Kohlmeyer
fix logic errors in r-RESPA compute-outer methods 
Oct 15 2015
d220c6bde08dAxel Kohlmeyer
make sure g_ewald_old is initialized in corner case. 
Oct 7 2015
40cb3e0bc890Axel Kohlmeyer
avoid using unitialized values in corner cases for Pair::compute_outer() 
Oct 7 2015
05ce3543765fAxel Kohlmeyer
plug memory leak 
Oct 7 2015
21dcbd5c7b57Axel Kohlmeyer
silence compiler warnings 
Oct 6 2015
1e9688052db6Axel Kohlmeyer
respect scalar_pressure_flag consistently 
Oct 6 2015
f146e718c5bbAxel Kohlmeyer
correct explicit NULL pointer dereference bug 
Sep 30 2015
d1332822ed3eAxel Kohlmeyer
correct out-of-bounds access 
Sep 27 2015
ce59e32d1cf6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7… 
Aug 28 2015
5049cb79a295Axel Kohlmeyer
remove broken and unused pppm/tip4p/cg kspace style 
Aug 26 2015
2f55b6da36a3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13903 f3b2605a-c512-4ea7… 
Aug 19 2015
94c795af4206Axel Kohlmeyer
fix typo in comments 
Jul 25 2015
6106843d57afsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7… 
May 15 2015
437099b1e237Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
May 15 2015
09581bb143a6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7… 
May 14 2015
f83f55aac1deAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 28 2015
d78bc59e0645Axel Kohlmeyer
alternative bugfix for the reset_box() issue reported by kasra 
Mar 27 2015
d72fcf5acca3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7… 
Mar 27 2015
99d694e5d5b4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 26 2015
b977c7a13b4bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13290 f3b2605a-c512-4ea7… 
Mar 25 2015
895cb00e98cfAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 24 2015
ac0b1d1ac371sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7… 
Mar 24 2015
84a5ec39ec21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7… 
Mar 24 2015
cd433a8b616aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Feb 24 2015
da43baf1ffbfstamoor
Fixing a few bugs in Kokkos 
Feb 24 2015
7af1fc13f806Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Feb 20 2015
4e8c2824e3e4pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13135 f3b2605a-c512-4ea7… 
Feb 20 2015
9312336d24c5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13112 f3b2605a-c512-4ea7… 
Feb 13 2015
cfb62d3358b3Axel Kohlmeyer
import improved documentation for pppm/disp from rolf 
Feb 11 2015
8d532d93e929Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 20 2015
4a975dd8cf07sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7… 
Jan 20 2015
1eb5be159143sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7… 
Jan 19 2015
aeb7fec23aa9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7… 
Dec 2 2014
8f1e626e217aAxel Kohlmeyer
next and hopefully final set of MPI_STATUS_IGNORE changes 
Nov 26 2014
cb0a9998bd92Axel Kohlmeyer
use MPI_STATUS_IGNORE where possible 
Nov 25 2014
1a462cba2f1bAxel Kohlmeyer
another batch of dead code removal and cleanups 
Nov 20 2014
416f6c25e56dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 18 2014
21ac09ad9c9csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7… 
Nov 18 2014
7518fae9bcffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7… 
Oct 21 2014
35d8036e3236Axel Kohlmeyer
update C++ headers with emacs mode cookies 
Oct 21 2014
f350cc4ec77bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7… 
Oct 20 2014
87d6b4db8ddaAxel Kohlmeyer
abort with an error, if ewald/disp is used with fix qeq or compute fep 
Oct 9 2014
fb80e530a4b6Axel Kohlmeyer
part one of the qsum_qsq() cleanup, bugfix, and synchronization. 
Oct 9 2014
166a9c5bc791sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7… 
Oct 8 2014
1fc3b191ad9bAxel Kohlmeyer
allow external facilities to indicate that qsum_qsq() needs to be called from… 
Oct 6 2014
9dd1fd29b218Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 27 2014
e8b64a9080fdstamoor
Fixed memory error in ewald_disp.cpp 
Sep 26 2014
54576e2b35baAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 26 2014
b74fcc80ac13sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7… 
Aug 25 2014
4ea728dc8007sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7… 
Aug 25 2014
39a94bfbdca2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 19 2014
0f6eb0877ebcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7… 
Aug 14 2014
c1e12f950867sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7… 
Aug 8 2014
fa56793bdc25Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 8 2014
9026afed5cf9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7… 
Aug 8 2014
3f3446e8ddedsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7… 
Aug 7 2014
a67fb36bab47Axel Kohlmeyer
add test for invalid box dimension to demystify PPPM out of range errors 
Aug 5 2014
006f747f27a3Axel Kohlmeyer
remove redundant TIP4P check and signal if TIP4P is used PPPM 
Aug 4 2014
3dace181b778sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7… 
Aug 1 2014
8b6dd56190fcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7… 
Jul 31 2014
ce0827c3d970Axel Kohlmeyer
correct logic bug in pppm+tip4p pair style settings 
Jul 31 2014
f3a3c6150610Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 31 2014
e8dd5814f3dasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7… 
Jul 30 2014
fe1ade5fad2bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7… 
Jul 30 2014
909a9ff697e2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 29 2014
65a76deb45b1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7… 
Jul 28 2014
0ba44e7c26e7Axel Kohlmeyer
enforce using a tip4p compatible kspace style with tip4p pair style. 
Jul 25 2014
32d641d3f970sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7… 
May 16 2014
1d825a887cb6Axel Kohlmeyer
fix compile errors/warnings introduced by may 13 patch 
May 14 2014
f9f7283fa5c5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 14 2014
6c06a66ae7b1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7… 
May 13 2014
8bee4ef5966asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7… 
May 2 2014
0fbda306f930Axel Kohlmeyer
next batch of code cleanup based on compiler warnings 
Apr 30 2014
e6c72491430dAxel Kohlmeyer
another round of removing unused variables 
Apr 29 2014
c198ad904c26Axel Kohlmeyer
add Pair::extract() targets to several pair styles for FEP calculations 
Apr 24 2014
f461504c9398sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7… 
Apr 18 2014
ee04f975b3daAxel Kohlmeyer
some more dead code removal. number of warnings getting small now 
Apr 18 2014
b61d2117c03cAxel Kohlmeyer
more dead code removal and one bugfix 
Apr 17 2014
9374001aadd4Axel Kohlmeyer
next batch of unused variable removal 
Apr 16 2014
492e027896e6Axel Kohlmeyer
some more cleanups based on warnings from newer gcc 
Apr 16 2014
121e237acd8fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11792 f3b2605a-c512-4ea7… 
Apr 15 2014
1fac1d41fa78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7… 
Apr 15 2014
bb18537142c2Axel Kohlmeyer
only pppm/cuda uses pppm/old. move it to USER-CUDA 
Apr 13 2014
5f4db57b19c4Axel Kohlmeyer
another set of dead code removal 
Apr 13 2014
3383630daae1Axel Kohlmeyer
remove more dead code 
Apr 13 2014
323e3075c413Axel Kohlmeyer
remove even more unused variables and have consistent initialization 
Apr 12 2014
09168613150esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7… 
Apr 11 2014
c5af763730fbAxel Kohlmeyer
silence some more compiler warnings 
Apr 10 2014
5fcfc9f575fcAxel Kohlmeyer
various little cleanups to silence compiler warnings 
Apr 10 2014
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