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Diffusion lammps (lammm-master) Graph

lammps/src/USER-OMP
lammm-master

History Graph

CommitAuthorDetailsCommitted
8b71c157de92Axel Kohlmeyer
handle the no local atom case in all pppm variants better 
Mar 8 2013
ffaec63235f1Axel Kohlmeyer
whitespace cleanup 
Mar 8 2013
a512a88b1f16Axel Kohlmeyer
fix segfault in msm/omp. code is awfully slow now. 
Mar 8 2013
4fd5028c199bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9613 f3b2605a-c512-4ea7… 
Mar 7 2013
7f258bf917b0Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Mar 7 2013
ed72c6c5ae87pscrozi
Optimizations to kspace_style MSM, including improving the single-core… 
Mar 6 2013
dfd6d4b943bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9586 f3b2605a-c512-4ea7… 
Mar 6 2013
ead9fe70299asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7… 
Mar 6 2013
adb129fe991dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7… 
Mar 6 2013
4be41208c17cAxel Kohlmeyer
add /omp version of lj/cut/tip4p/cut 
Mar 5 2013
73d3ce64072aAxel Kohlmeyer
include lj/long/coul/long versions with respa support 
Mar 1 2013
60f67d9fe925Axel Kohlmeyer
fix stupid bug reported by rolf 
Feb 26 2013
056f83db2d53Axel Kohlmeyer
remove redundant code 
Feb 24 2013
d2fef46fb3a0Axel Kohlmeyer
complete the implementation of respa/omp. tested ok. 
Feb 23 2013
ba8c0bb5bc24Axel Kohlmeyer
prepare to add support for respa/omp. compiles but non-functional 
Feb 20 2013
4ff021e8f483sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9542 f3b2605a-c512-4ea7… 
Feb 20 2013
f5dd8af3efbeAxel Kohlmeyer
simplify flag handling in package omp, add new flag 
Feb 20 2013
9c141ded2475Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 19 2013
be4a5a8e54a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9523 f3b2605a-c512-4ea7… 
Feb 18 2013
f75099c6084fAxel Kohlmeyer
remove failed attempt to implement a no-reduction multi-threaded style 
Feb 18 2013
238345f0be18Axel Kohlmeyer
some tricks to make sure arrays are cleared properly and threaded neighbor list… 
Feb 15 2013
1e655c5b7f90Axel Kohlmeyer
bugfix 
Feb 15 2013
e51ec4aab672Axel Kohlmeyer
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps… 
Feb 15 2013
a7d8b1b15b99Axel Kohlmeyer
add OpenMP pair style without newton's 3rd law. 
Feb 15 2013
00be9561e711sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9512 f3b2605a-c512-4ea7… 
Feb 15 2013
f57f4ec774c5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9511 f3b2605a-c512-4ea7… 
Feb 15 2013
1466a253d1d6Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 15 2013
d08b26b38802Axel Kohlmeyer
fix small bugs. fix rigid/small/omp now works for buckyballs 
Feb 15 2013
47c4879d9fdcAxel Kohlmeyer
add /omp version of fix rigid/small. not fully functional. 
Feb 15 2013
4a8e4d535248sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9508 f3b2605a-c512-4ea7… 
Feb 15 2013
ef1541ad5b50sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9497 f3b2605a-c512-4ea7… 
Feb 14 2013
180c73261985sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9480 f3b2605a-c512-4ea7… 
Feb 14 2013
8f94aa801084sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9479 f3b2605a-c512-4ea7… 
Feb 14 2013
321483a15abdAxel Kohlmeyer
small optimization 
Feb 13 2013
fbbc7308618bAxel Kohlmeyer
some cleanups and minor optimizations 
Feb 13 2013
652c2c6135c8Axel Kohlmeyer
little performance tweak 
Feb 12 2013
bce9d8f14275Axel Kohlmeyer
add multi-threaded version of PPPM*OMP::make_rho() 
Feb 12 2013
8c7862cd79a5Axel Kohlmeyer
performance tuning and bugfix 
Feb 12 2013
9056cf0410f3Axel Kohlmeyer
give the compiler more chances to keep data in registers. 
Feb 12 2013
aae97983b888sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9449 f3b2605a-c512-4ea7… 
Feb 12 2013
0fa04785e3edsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9448 f3b2605a-c512-4ea7… 
Feb 12 2013
4ced572e0249Axel Kohlmeyer
multi-threaded pppm/tip4p. only tested serially, so far 
Feb 12 2013
2495f08cb248Axel Kohlmeyer
minor cleanups 
Feb 12 2013
2c1b7c827a35Axel Kohlmeyer
fix typo in USER-OMP management scripts 
Feb 12 2013
58ce4e594986Axel Kohlmeyer
bugfix for BSD sed 
Feb 12 2013
5c6301f49d25Axel Kohlmeyer
re-implementation of pppm/cg/omp using the new pppm/cg 
Feb 12 2013
7d3df4eefeceAxel Kohlmeyer
bugfixes. tested ok for ik and ad differentiation 
Feb 12 2013
e9413f8ec597Axel Kohlmeyer
re-implementation of /omp support for PPPM 
Feb 12 2013
d2459bc1c552Axel Kohlmeyer
incorporate upcoming changes to tip4p styles from upstream 
Feb 11 2013
a8cb638e765bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9443 f3b2605a-c512-4ea7… 
Feb 11 2013
62434a8a89cbAxel Kohlmeyer
one more integrator with /omp support. 
Feb 10 2013
144c888f6b72Axel Kohlmeyer
implement the remaining rigid integrators with OpenMP support 
Feb 10 2013
9236393b18e9Axel Kohlmeyer
some simplification. comments regarding replicated code added 
Feb 10 2013
718aa55ae3c4Axel Kohlmeyer
better alignment 
Feb 10 2013
005af0243cebAxel Kohlmeyer
next try at having thread safe temperature bias removal/restoration 
Feb 10 2013
e321dc9f5812Axel Kohlmeyer
more complete implementation of fix rigid/omp. tested for molecule type 
Feb 9 2013
1d68769ded88Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 9 2013
2fcebd9548b4Axel Kohlmeyer
partial implementation of multi-threaded rigid integrator. tested. 
Feb 9 2013
60c26a0d6cc6Axel Kohlmeyer
add some more compiler hints 
Feb 9 2013
0ffeedecf033Axel Kohlmeyer
mass conversion of bonded interactions for better compiler optimization 
Feb 8 2013
8c1b86f077daAxel Kohlmeyer
rename vec3_t and vec4_t to dbl3_t and dbl4_t 
Feb 8 2013
9494ea04b619Axel Kohlmeyer
convert many /omp pair styles for better compiler optimization 
Feb 8 2013
fe33ffda9898Axel Kohlmeyer
help the c++ compiler to optimize better trial run on lj/cut/omp 
Feb 8 2013
0a6ec2b279f8Axel Kohlmeyer
add typedef and define for helping the compiler to do better optimization 
Feb 8 2013
01311d340adcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7… 
Feb 8 2013
8c101ebc7007sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9407 f3b2605a-c512-4ea7… 
Feb 8 2013
960e79fe53ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9406 f3b2605a-c512-4ea7… 
Feb 8 2013
6676724eeebcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7… 
Feb 8 2013
c5651e89b5ceAxel Kohlmeyer
let compilers to a better job at optimizating loops over x,y,z atom properties 
Feb 8 2013
e1f19d73d222Axel Kohlmeyer
/omp variant of nve integrator 
Feb 8 2013
af5399b87c0cAxel Kohlmeyer
add missing wrapper class for fix nph/omp 
Feb 8 2013
fe27b7df287cAxel Kohlmeyer
add multi-threaded sphere integrators 
Feb 7 2013
6534e67e3651Axel Kohlmeyer
remove obsolete branch in velocity update code 
Feb 7 2013
9658e11cc343Axel Kohlmeyer
added classes for aspherical nph/npt/nvt integration 
Feb 7 2013
f1ca3540e112Axel Kohlmeyer
start multithreaded integrators for aspherical objects 
Feb 7 2013
e29e0c8ff1d7Axel Kohlmeyer
multi-threaded version of fix nvt/sllod 
Feb 7 2013
e7dc86d2c7b4Axel Kohlmeyer
add threaded version of the last method frequently looping over all atoms 
Feb 7 2013
eb7336217181Axel Kohlmeyer
enable parallel pressure support with bias 
Feb 7 2013
dc4996deee92Axel Kohlmeyer
add one more multithreaded integrator method 
Feb 7 2013
63dc5150312eAxel Kohlmeyer
implement multi-threaded DomainOMP::pbc() method 
Feb 7 2013
a594c8ac12afAxel Kohlmeyer
multi-thread some frequently user functions in Domain 
Feb 7 2013
21adc8e8226eAxel Kohlmeyer
expand OpenMP support in time integration 
Feb 7 2013
3fc2f7c4a9f2Axel Kohlmeyer
fix typo 
Feb 7 2013
46a05e33628dAxel Kohlmeyer
one more stupid bug fixed 
Feb 7 2013
d4af628c7304Axel Kohlmeyer
fix typos 
Feb 7 2013
7a2c634216d0Axel Kohlmeyer
first stab at multi-threading fix nh based integrators 
Feb 6 2013
b01907cd9549Axel Kohlmeyer
more uses of special math functions 
Feb 5 2013
49690af8566dAxel Kohlmeyer
use special math functions 
Feb 4 2013
58d375dda361Axel Kohlmeyer
add OpenMP versions of recently added bonded styles 
Feb 3 2013
225d792ce991Axel Kohlmeyer
make package management scripts more steve-friendly 
Feb 3 2013
d7962731c901Axel Kohlmeyer
make msm/omp compatible with broken OpenMP in gcc 4.2 
Feb 1 2013
0b779e30baa6Axel Kohlmeyer
refactoring of dihedral_style table. 
Feb 1 2013
e040273d4a4fAxel Kohlmeyer
bugfix for hybrid pair styles. 
Jan 29 2013
a4bc5aa73a55sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9312 f3b2605a-c512-4ea7… 
Jan 24 2013
5b1fe9d76389Axel Kohlmeyer
update /omp versions of brownian and lubricate pair styles for changes in… 
Jan 21 2013
56a3ae0ecad6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9280 f3b2605a-c512-4ea7… 
Jan 17 2013
b078dc5e0bebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9279 f3b2605a-c512-4ea7… 
Jan 17 2013
d39910bd4cf5Axel Kohlmeyer
fix bug in energy accounting for hybrid pair styles 
Jan 16 2013
5b513be37e3eAxel Kohlmeyer
fix another typo from cut-n-paste 
Jan 15 2013
8ddab3b7db97Axel Kohlmeyer
fix typo 
Jan 15 2013
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