History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
1093ff46f185 | Axel Kohlmeyer | delete unused variables and reduce compiler warnings | Aug 10 2014 | |||
4c79bce7f1cb | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 10 2014 | |||
c1e12f950867 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7… | Aug 8 2014 | |||
9026afed5cf9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7… | Aug 8 2014 | |||
a67fb36bab47 | Axel Kohlmeyer | add test for invalid box dimension to demystify PPPM out of range errors | Aug 5 2014 | |||
fe1ade5fad2b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7… | Jul 30 2014 | |||
a44e538ac67f | Axel Kohlmeyer | transfer changes from upstream to USER-OMP version | Jul 1 2014 | |||
bcec3c56e45e | Axel Kohlmeyer | Merge branch 'patch_14_06_2014' into lammps-icms | Jun 15 2014 | |||
598be75009d2 | Axel Kohlmeyer | anticipate 14 June 2014 patch | Jun 15 2014 | |||
3f98c4d07662 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12127 f3b2605a-c512-4ea7… | Jun 14 2014 | |||
e8ec5114a9e5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12010 f3b2605a-c512-4ea7… | May 22 2014 | |||
ffd2b394712e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12009 f3b2605a-c512-4ea7… | May 22 2014 | |||
e60487065649 | Axel Kohlmeyer | properly implement optimized version of lj/charmm/coul/long/soft | May 22 2014 | |||
c1e8a7b16d04 | Axel Kohlmeyer | energy calculation was wrong in the last commit. fixed it. | May 21 2014 | |||
3afe9d6aedfa | Axel Kohlmeyer | bugfix and cleanup for lj/charmm/coul/long/omp | May 21 2014 | |||
e222e8b16c1b | Axel Kohlmeyer | import new files for USER-FEP and /omp version. | May 21 2014 | |||
23892d4fc5bf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12003 f3b2605a-c512-4ea7… | May 19 2014 | |||
1d825a887cb6 | Axel Kohlmeyer | fix compile errors/warnings introduced by may 13 patch | May 14 2014 | |||
a93cebcc2d06 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7… | May 9 2014 | |||
55365522a988 | Axel Kohlmeyer | big dead code cleanup of comb3 pair style | May 8 2014 | |||
8bee4ef5966a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7… | May 2 2014 | |||
0e4643fc5925 | Axel Kohlmeyer | fix problems flagged by compiler warnings | Apr 30 2014 | |||
0fbda306f930 | Axel Kohlmeyer | next batch of code cleanup based on compiler warnings | Apr 30 2014 | |||
e6c72491430d | Axel Kohlmeyer | another round of removing unused variables | Apr 29 2014 | |||
ee041356397a | Axel Kohlmeyer | add multi-threaded versions of the USER-FEP package | Apr 21 2014 | |||
e0256a6447d2 | Axel Kohlmeyer | get rid of compiler warnings when compiling w/o OpenMP | Apr 21 2014 | |||
ac5b911e5e4f | Axel Kohlmeyer | eliminate dead code in newly added features | Apr 19 2014 | |||
f461504c9398 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7… | Apr 18 2014 | |||
ee04f975b3da | Axel Kohlmeyer | some more dead code removal. number of warnings getting small now | Apr 18 2014 | |||
9374001aadd4 | Axel Kohlmeyer | next batch of unused variable removal | Apr 16 2014 | |||
492e027896e6 | Axel Kohlmeyer | some more cleanups based on warnings from newer gcc | Apr 16 2014 | |||
1fac1d41fa78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7… | Apr 15 2014 | |||
4b2476a4fd7f | Axel Kohlmeyer | handle parenthesis to signal assigment warning for manybody potentials | Apr 13 2014 | |||
5f4db57b19c4 | Axel Kohlmeyer | another set of dead code removal | Apr 13 2014 | |||
d7bbb795fff0 | Axel Kohlmeyer | spelling fix | Apr 12 2014 | |||
323e3075c413 | Axel Kohlmeyer | remove even more unused variables and have consistent initialization | Apr 12 2014 | |||
09168613150e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7… | Apr 11 2014 | |||
1b6af8196fc1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11775 f3b2605a-c512-4ea7… | Apr 11 2014 | |||
4d46b70ccea8 | Axel Kohlmeyer | implement changes that follow the equivalent files in upstream | Apr 11 2014 | |||
c5af763730fb | Axel Kohlmeyer | silence some more compiler warnings | Apr 10 2014 | |||
5fcfc9f575fc | Axel Kohlmeyer | various little cleanups to silence compiler warnings | Apr 10 2014 | |||
5bb50f88412a | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Apr 10 2014 | |||
5e0b58212ea2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11746 f3b2605a-c512-4ea7… | Apr 9 2014 | |||
cd3dbc40fd24 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11745 f3b2605a-c512-4ea7… | Apr 9 2014 | |||
8bf5d7181746 | Axel Kohlmeyer | more explicit error message to state incompatibility of COMB3 with USER-OMP | Apr 9 2014 | |||
17998fc55a0d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11725 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
2f7b90b868d1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11722 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
9ca0fa9029be | Axel Kohlmeyer | make pair style tersoff/table/omp thread safe | Apr 5 2014 | |||
fb8250afd705 | Axel Kohlmeyer | need to use thread-safe accumulator for collecting pair energy | Apr 5 2014 | |||
1772fc673967 | Axel Kohlmeyer | silence some warnings and make code more obvious | Apr 5 2014 | |||
ce9b5d2f3fa3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11702 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
0de9e4252ba7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
1646c124b1c3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
3e9c22df2465 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11699 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
34389413124e | Axel Kohlmeyer | update comment | Apr 2 2014 | |||
b46de6ef1dbf | Axel Kohlmeyer | fix bugs introduced when maxtouch was made dynamic | Apr 2 2014 | |||
430aed042a86 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 20 2014 | |||
d54bd651a3d1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7… | Mar 19 2014 | |||
7ed4a5d48a5f | Axel Kohlmeyer | reinstate code that needed to be deleted in upstream only | Feb 27 2014 | |||
53fef3f3a372 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Feb 27 2014 | |||
1f01bb69b998 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11578 f3b2605a-c512-4ea7… | Feb 26 2014 | |||
2707ba954766 | Axel Kohlmeyer | undo bogus bugfix that unfixes a bugfix | Feb 17 2014 | |||
83de2a63b679 | Axel Kohlmeyer | report OpenMP bug reported in msm/omp | Feb 17 2014 | |||
61af28265478 | Axel Kohlmeyer | move open_potential() from pair.cpp to force.cpp and extend to bonds/angles | Feb 14 2014 | |||
958a442bebbe | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11539 f3b2605a-c512-4ea7… | Feb 12 2014 | |||
396e7165aebc | Axel Kohlmeyer | various small cleanups and bugfixes found by checking warnings from clang | Feb 9 2014 | |||
f1feacdafd31 | Axel Kohlmeyer | fix some trivial formatting issues flagged by clang++ | Feb 7 2014 | |||
47f42c2a5507 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11419 f3b2605a-c512-4ea7… | Jan 31 2014 | |||
748dcbcb5b84 | Axel Kohlmeyer | bugfix for computing forces in dreiding hbond pair styles | Jan 31 2014 | |||
823675d6be56 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11416 f3b2605a-c512-4ea7… | Jan 31 2014 | |||
170ff252dbe6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11407 f3b2605a-c512-4ea7… | Jan 30 2014 | |||
d2af99f2c50a | Axel Kohlmeyer | port remaining multi-threaded neighbor list code to atom style template | Jan 30 2014 | |||
41ba4c7ea765 | Axel Kohlmeyer | more porting of template support to threaded neighbor lists | Jan 30 2014 | |||
4302d3427660 | Axel Kohlmeyer | start porting changes to support atom_style template to USER-OMP | Jan 30 2014 | |||
bea87398b383 | Axel Kohlmeyer | update format strings for bond, dihedral and improper warnings that use tags | Jan 28 2014 | |||
961d9171eb9a | Axel Kohlmeyer | update hbond/dreiding/*/omp for the latest upstream changes | Jan 28 2014 | |||
0750213978f2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 28 2014 | |||
7e5b15bb90c4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11345 f3b2605a-c512-4ea7… | Jan 27 2014 | |||
f29d16e0323c | Axel Kohlmeyer | carry over changes from upstream | Jan 27 2014 | |||
418e9cf0bb62 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11306 f3b2605a-c512-4ea7… | Jan 24 2014 | |||
36176a9eb9df | Axel Kohlmeyer | fixes to compile USER-OMP with -DLAMMPS_BIGBIG | Jan 24 2014 | |||
979c5746a06c | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 23 2014 | |||
48f417e21918 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11294 f3b2605a-c512-4ea7… | Jan 22 2014 | |||
127eb167c116 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7… | Jan 22 2014 | |||
083b517cb002 | Axel Kohlmeyer | anticipate uplevel bugfix to r-RESPA | Jan 22 2014 | |||
4db641a9f03c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11284 f3b2605a-c512-4ea7… | Jan 21 2014 | |||
b26cc714c298 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11282 f3b2605a-c512-4ea7… | Jan 21 2014 | |||
46e8e6c12078 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 18 2014 | |||
cb1ad361fbf0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7… | Jan 17 2014 | |||
a6ca3cab542c | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 17 2014 | |||
a1ef01fc1ae2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7… | Jan 14 2014 | |||
f9ac6293ec59 | Axel Kohlmeyer | fix bug found by paul coffman | Jan 8 2014 | |||
05867c27426a | Axel Kohlmeyer | fix bug in lj/sf reported by juerg diemand | Dec 19 2013 | |||
1f844fd910e9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7… | Nov 25 2013 | |||
356e22265490 | Axel Kohlmeyer | bufixes for angle style quartic | Nov 23 2013 | |||
e51b1faae0bb | Axel Kohlmeyer | restore some changes that got dropped in the last merge | Oct 31 2013 | |||
cad4e3266db9 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Oct 31 2013 | |||
0fa3867f3437 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
2c0da2324edb | Axel Kohlmeyer | remove comment that is not needed | Oct 17 2013 | |||
f3facd747c77 | Axel Kohlmeyer | remove statement without effect | Oct 17 2013 |
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