Homec4science
Diffusion lammps (master) Graph

lammps/src
master

History Graph

CommitAuthorDetailsCommitted
281b1dc37571Steve Plimpton
small updates to recently added docs and rename of an example dir 
Oct 18 2017
e93f8f888975Steve Plimpton/GitHub
Merge pull request #671 from danicholson/user-uef 
Oct 18 2017
35f2cfa0bfafSteve Plimpton/GitHub
Merge pull request #669 from urpedersen/master 
Oct 18 2017
e44196c01133Steve Plimpton/GitHub
Merge pull request #694 from akohlmey/bond-gromos 
Oct 18 2017
2fe1d1b90451Steve Plimpton/GitHub
Merge pull request #697 from andeplane/fix_heat_bug 
Oct 18 2017
b1b4a52b14e2Steve Plimpton/GitHub
Merge pull request #695 from timattox/USER-DPD_small_updates 
Oct 18 2017
382de5034188Steve Plimpton/GitHub
Merge pull request #696 from wmbrownIntel/intel-update-oct17 
Oct 18 2017
7dfc6b7eab71Steve Plimpton/GitHub
Merge pull request #688 from lammps/history 
Oct 18 2017
19eb5d389778Anders Hafreager
Avoid checking region when not specified 
Oct 18 2017
17c17ac40996Axel Kohlmeyer
update multi-threaded neighbor list build for neighbor list refactor 
Oct 18 2017
39ededd46cf7Axel Kohlmeyer
update respa/omp integrator style for neighbor list refactor 
Oct 18 2017
2c7528811d7fAxel Kohlmeyer
update several pair styles to be compliant with refactored respa lists data… 
Oct 18 2017
0966e14e73a7Steve Plimpton
more changes to rRESPA neighbor lists 
Oct 18 2017
bb141aaae04fMichael Brown
USER-INTEL: Bug fix for case where a bond/angle/dihedral/improper style is… 
Oct 17 2017
374d619769c2Axel Kohlmeyer
add gromos bond style 
Oct 16 2017
59de1a71c8cdAxel Kohlmeyer
Merge branch 'history' of github.com:lammps/lammps into history 
Oct 16 2017
4c6779cb0d61Tim Mattox
USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67 
Oct 16 2017
5fb5f70ec684Axel Kohlmeyer
update USER-OMP code for shear history neighbor refactoring 
Oct 16 2017
b0bba1976b33Tim Mattox
USER-DPD: remove unused coord2bin() variants, and add ISFINITE checks 
Oct 16 2017
3e89b270fdf8Giacomo Fiorin
Update Colvars to version 2017-10-11 
Oct 13 2017
f6ddc8c7c9baStan Moore
Fix compile errors from neigh history refactor 
Oct 13 2017
3df9caf43533Axel Kohlmeyer
drop const qualifier to allow bracketing of lookup index 
Oct 13 2017
fa2e5ac2d902Axel Kohlmeyer
handle lookup exceptions consistently across energy and energy+force lookup in… 
Oct 13 2017
b7c749260885Axel Kohlmeyer
handle invalid lookup for bond/angle tabulation 
Oct 13 2017
cee94da85e16Axel Kohlmeyer
bugfix. avoiding operating on uninitialize data. closes #690 
Oct 13 2017
53aa92cfafd1Axel Kohlmeyer
add support for neighbor list history refactoring in USER-OMP part 2 
Oct 11 2017
7e35042c42e9Axel Kohlmeyer
add support for neighbor list history refactoring in USER-OMP part 1 
Oct 11 2017
01051e4cb13cSteve Plimpton
refactoring of neighbor history 
Oct 11 2017
93c9a9274319Steve Plimpton/GitHub
Merge pull request #684 from irisTa56/bugfix-in-domain.cpp 
Oct 9 2017
14dc1c698c60Steve Plimpton/GitHub
Merge pull request #683 from wmbrownIntel/pppm_intel_fix 
Oct 9 2017
a1f5693fe08eSteve Plimpton/GitHub
Merge pull request #681 from lammps/dump-modify 
Oct 9 2017
534b7adde4b3irisTa56
Bugfix for checking image flags 
Oct 9 2017
02646100e91fAxel Kohlmeyer
correct handling of "at" keyword for netcdf dumps as suggested by @pastewka in… 
Oct 9 2017
7e58f084d226Michael Brown
Fixing bug in pppm/intel for AVX-512 with single precision and ik diff. This… 
Oct 8 2017
b6187173e626Christoph Junghans
Merge branch 'master' into HEAD 
Oct 7 2017
88a33edb5022Steve Plimpton/GitHub
Merge pull request #680 from lammps/map-yes 
Oct 7 2017
58e1969de241Axel Kohlmeyer
rename misleading "CPU time" into "Time spent" 
Oct 6 2017
e91e505fb36eSteve Plimpton
remove dependence of dump modify 'at' and 'append' 
Oct 6 2017
f7cbdcf99584Steve Plimpton/GitHub
Merge pull request #673 from pastewka/17_dump_nc2 
Oct 6 2017
dc0e20947ee7Lars Pastewka
MAINT: Return error when 'at' keyword is used without 'append yes'. 
Oct 6 2017
05847a0e8713Axel Kohlmeyer/GitHub
Merge branch 'master' into user-intel-update 
Oct 6 2017
15853a0e38dcSteve Plimpton/GitHub
Merge pull request #676 from stanmoore1/kokkos_reverse_comm 
Oct 6 2017
a9b7ff1154d3Steve Plimpton/GitHub
Merge pull request #679 from stanmoore1/kk_reax_comm 
Oct 6 2017
7a90eef527edSteve Plimpton/GitHub
Merge pull request #668 from ovilab/modify_deallocation_fix 
Oct 6 2017
5d0626e50e30Steve Plimpton/GitHub
Merge pull request #665 from akohlmey/collected-small-fixes 
Oct 6 2017
4b7ca0383aacSteve Plimpton/GitHub
Merge pull request #664 from timattox/kokkos_atom2bin 
Oct 6 2017
214c0cfb2b7eSteve Plimpton
add atom_modify map yes, also timers to create_atoms and replicate 
Oct 6 2017
e0efdd50fab3Stan Moore
Switch to classic comm if ghost_velocity. The check_forward and check_reverse… 
Oct 5 2017
44d2e8ff74d5Stan Moore
Add pre_reverse to verlet_kokkos and comment out timer 
Oct 5 2017
6bf2c60c07edStan Moore
Fix issues in Kokkos comm 
Oct 5 2017
eecd2fbaee77Stan Moore
Remove hardcoded value in fix_qeq_reax 
Oct 5 2017
2b0bfcb10f90Stan Moore
Fix memory leak in pair_reaxc_kokkos 
Oct 5 2017
3653f4012013Stan Moore
Reduce unnecessary communication in fix_qeq_reax 
Oct 4 2017
bda0ee3aa1ebStan Moore
Destroy unneeded fix in pair_reaxc_kokkos 
Oct 4 2017
c522b1b7a974Axel Kohlmeyer
add call to fftw_cleanup() before exiting to avoid bogus leak reports when… 
Oct 4 2017
ca032f21fbfaStan Moore
Add Kokkos threaded reverse comm option 
Oct 3 2017
1bb7af9ef91aAxel Kohlmeyer
integrate fix rhok into the LAMMPS source code management and documentation… 
Oct 3 2017
251f28049a3dAxel Kohlmeyer
make fix rhok more similar to other LAMMPS sources 
Oct 3 2017
8a2cf5ce8e77Ulf R. Pedersen/GitHub
reformatting and use citeme class 
Oct 3 2017
8f79f5ddb9daUlf R. Pedersen/GitHub
add the LAMMPS copyright 
Oct 3 2017
40ae6f215bb7Ulf R. Pedersen/GitHub
add the usual LAMMPS copyright 
Oct 3 2017
4dcc49ebe2c3Ulf R. Pedersen/GitHub
Delete fix_rhok.cpp 
Oct 3 2017
fe14eeccac97Ulf R. Pedersen/GitHub
Delete fix_rhok.h 
Oct 3 2017
9dc42fd4db71Michael Brown
intel_simd.h is currently also needed by dihedral/charmm, not just sw. 
Oct 3 2017
5e8926963126Michael Brown
Minor adjustments to intel makefiles and documentation based on the reversed… 
Oct 3 2017
b34109af602fDavid Nicholson
formatting changes 
Oct 3 2017
588b2534c9b0David Nicholson
Minor fix for FixNHUef constructor 
Oct 3 2017
d2aa05cb3661Axel Kohlmeyer
update README in USER-INTEL for recent LRT logic reversal 
Oct 3 2017
2a24cbfe0c2fAxel Kohlmeyer
reverse logic for using MKL pRNG: this way, make serial and make mpi will… 
Oct 3 2017
8acdc8020d9aAxel Kohlmeyer
add USER-UEF classes to .gitignore 
Oct 2 2017
cc09a633a2bcAxel Kohlmeyer
small code refactor for FixNHUef class 
Oct 2 2017
81be9b37de9cAxel Kohlmeyer
formatting, whitespace and include file/constants cleanup 
Oct 2 2017
0c7879e90243Axel Kohlmeyer
provide compatibility entries in FixNH option parsing for new USER-UEF package 
Oct 2 2017
8d384b9149c7Axel Kohlmeyer
whitespace cleanup 
Oct 2 2017
529eeb603923Stan Moore
Reduce GPU data transfer 
Oct 2 2017
cf24dd026520Michael Brown
Adding pair style dpd/intel and dihedral style fourier/intel Adding raw… 
Oct 2 2017
fbe42cda2d24Lars Pastewka
MAINT: Only set append flag when not in multifile mode. 
Oct 1 2017
56d21bfb057bLars Pastewka
MAINT: Removed obsolete prmtop writer. 
Oct 1 2017
100231bba8f1Lars Pastewka
ENH: Enable multi file writes. 
Oct 1 2017
84378f8ae27fLars Pastewka
MAINT: Renamed _put_var1_x to _put_var1_bigint 
Oct 1 2017
6e342d2e45dcLars Pastewka
MAINT: bigint (int64) maps onto either long or long long, depending on platform. 
Oct 1 2017
a86572f4fcb4Stan Moore
Reduce memory churn in Kokkos package 
Sep 30 2017
4524b0fa83faDavid Nicholson
rename arg_kludge to uef_arg_kludge 
Sep 29 2017
9f2740b7f18fStan Moore
Partially revert 01d0a5c, avoid atomics, safe because of the while loop. Worst… 
Sep 29 2017
d7aac2fed53cStan Moore
Add sync/modify to nbin_kokkos 
Sep 29 2017
d898afaafb7aAxel Kohlmeyer
use <> for system includes not "" 
Sep 29 2017
a64040ce2d4fDavid Nicholson
citeme 
Sep 29 2017
480b087c9392David Nicholson
doc edits, README, and citeme 
Sep 29 2017
c0f1a326616aDavid Nicholson
fixed namespace issue 
Sep 28 2017
855b6000efcbDavid Nicholson
initial commit. doc is in the works 
Sep 28 2017
285a123c904dUlf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
0f52dd7c5f29Ulf R. Pedersen/GitHub
Update fix_rhok.h 
Sep 28 2017
348c4eb7f30cUlf R. Pedersen
add .cpp and .h to root src 
Sep 28 2017
67e48264d980Ulf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
4e1eeca869deUlf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
2fda04197201Ulf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
34c1adb4dd20Ulf R. Pedersen
Merge https://github.com/lammps/lammps 
Sep 28 2017
23e283f13551Anders Hafreager
Fixed proper deletion of fixes if fix is NULL 
Sep 27 2017
53e4ee4f2dc9Axel Kohlmeyer
need to re-init timers after initial setup 
Sep 26 2017
b60cff7e7773Axel Kohlmeyer
USER-OMP package depends on USER-DRUDE 
Sep 26 2017
1
2
Next
c4science · Help