Diffusion lammps (lammm-master-deprecated) History

History
lammm-master-deprecateda6b7299ddc2b996353886ec…

Mar 7 2013

bug fix for many processors domains where i or j can become -1
6f64cf2a189a
·Axel Kohlmeyer on Mar 7 2013, 19:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9609 f3b2605a-c512-4ea7…
1dc3bee64c15
·sjplimp on Mar 7 2013, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9607 f3b2605a-c512-4ea7…
e2a79bb807b4
·sjplimp on Mar 7 2013, 18:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9606 f3b2605a-c512-4ea7…
bc6f0b436a4a
·sjplimp on Mar 7 2013, 18:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9605 f3b2605a-c512-4ea7…
9f2a3147f107
·sjplimp on Mar 7 2013, 18:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9604 f3b2605a-c512-4ea7…
91b76139603a
·sjplimp on Mar 7 2013, 18:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9603 f3b2605a-c512-4ea7…
3d25c94f337d
·sjplimp on Mar 7 2013, 18:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9602 f3b2605a-c512-4ea7…
20ad5bdda326
·sjplimp on Mar 7 2013, 17:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9601 f3b2605a-c512-4ea7…
0316286abba2
·sjplimp on Mar 7 2013, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9600 f3b2605a-c512-4ea7…
e21af691be96
·sjplimp on Mar 7 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9599 f3b2605a-c512-4ea7…
7309370570ce
·sjplimp on Mar 7 2013, 16:35.
Merge remote branch 'lammps-ro/master' into lammps-icms
7f258bf917b0
·Axel Kohlmeyer on Mar 7 2013, 13:30.

Mar 6 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7…
d296cb9eb106
·pscrozi on Mar 6 2013, 22:33.
Optimizations to kspace_style MSM, including improving the single-core…
ed72c6c5ae87
·pscrozi on Mar 6 2013, 22:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7…
a3d29c1665c5
·pscrozi on Mar 6 2013, 20:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9595 f3b2605a-c512-4ea7…
70fbc16e7da8
·sjplimp on Mar 6 2013, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9594 f3b2605a-c512-4ea7…
a5e982730c28
·sjplimp on Mar 6 2013, 18:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9593 f3b2605a-c512-4ea7…
e2736ada2cb4
·sjplimp on Mar 6 2013, 18:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9592 f3b2605a-c512-4ea7…
2d00a52dbe69
·sjplimp on Mar 6 2013, 18:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9591 f3b2605a-c512-4ea7…
7296a641ffb3
·sjplimp on Mar 6 2013, 18:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9590 f3b2605a-c512-4ea7…
72c9d2d11f04
·sjplimp on Mar 6 2013, 18:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9589 f3b2605a-c512-4ea7…
f611f9a58f6e
·sjplimp on Mar 6 2013, 18:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9588 f3b2605a-c512-4ea7…
5404f3c1b557
·sjplimp on Mar 6 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9587 f3b2605a-c512-4ea7…
db2aafd8f46e
·sjplimp on Mar 6 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9586 f3b2605a-c512-4ea7…
dfd6d4b943bd
·sjplimp on Mar 6 2013, 18:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9585 f3b2605a-c512-4ea7…
986c317c5d55
·sjplimp on Mar 6 2013, 17:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9584 f3b2605a-c512-4ea7…
4819ef9e1e2d
·sjplimp on Mar 6 2013, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9583 f3b2605a-c512-4ea7…
18a04f2c5c8f
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7…
ead9fe70299a
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7…
adb129fe991d
·sjplimp on Mar 6 2013, 17:44.
Merge remote branch 'lammps-ro/master' into lammps-icms
6a7392d497f1
·Axel Kohlmeyer on Mar 6 2013, 12:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9580 f3b2605a-c512-4ea7…
f4b458219d63
·sjplimp on Mar 6 2013, 01:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9579 f3b2605a-c512-4ea7…
df0ad75e6b15
·sjplimp on Mar 6 2013, 01:24.

Mar 5 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9578 f3b2605a-c512-4ea7…
fd612bb39329
·sjplimp on Mar 5 2013, 22:15.
bugfix from rolf
052c06dd11a8
·Axel Kohlmeyer on Mar 5 2013, 19:30.
fix author attribution
556facf70745
·Axel Kohlmeyer on Mar 5 2013, 13:25.
Merge remote branch 'lammps-ro/master' into lammps-icms
115df8a11649
·Axel Kohlmeyer on Mar 5 2013, 13:25.
update documentation for new pair style
1946865fd6b4
·Axel Kohlmeyer on Mar 5 2013, 11:03.
add /omp version of lj/cut/tip4p/cut
4be41208c17c
·Axel Kohlmeyer on Mar 5 2013, 11:02.
update docs for lj/cut/tip4p/cut pair style
6fa89d432eac
·Axel Kohlmeyer on Mar 5 2013, 10:06.
update docs for current tip4p style naming conventions
4c6363564f01
·Axel Kohlmeyer on Mar 5 2013, 09:59.
fix up permissions
ceec8056fd3d
·Axel Kohlmeyer on Mar 5 2013, 09:53.
rename lj/cut/coul/cut/tip4p to lj/cut/tip4p/cut
872f4707451c
·Axel Kohlmeyer on Mar 5 2013, 09:52.
added pair style lj/cut/coul/cut/tip4p by wayne mitchell
4276fda7efb2
·Axel Kohlmeyer on Mar 5 2013, 09:45.
workaround for Atom class member dereference segfaults
eeca2c894f76
·Axel Kohlmeyer on Mar 5 2013, 08:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9576 f3b2605a-c512-4ea7…
0a364f2bae1b
·sjplimp on Mar 5 2013, 01:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9575 f3b2605a-c512-4ea7…
28bcd038af48
·sjplimp on Mar 5 2013, 01:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9574 f3b2605a-c512-4ea7…
df40403cd966
·sjplimp on Mar 5 2013, 01:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9573 f3b2605a-c512-4ea7…
32ba98e947d9
·sjplimp on Mar 5 2013, 01:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9572 f3b2605a-c512-4ea7…
1fe23b30417a
·sjplimp on Mar 5 2013, 01:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9571 f3b2605a-c512-4ea7…
30370bb2aa24
·sjplimp on Mar 5 2013, 01:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9570 f3b2605a-c512-4ea7…
6903543002bd
·sjplimp on Mar 5 2013, 01:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9569 f3b2605a-c512-4ea7…
d4b33beba9ff
·sjplimp on Mar 5 2013, 01:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9568 f3b2605a-c512-4ea7…
b116401f4da2
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7…
a746d1ce48c6
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7…
a5c6bfb1c587
·sjplimp on Mar 5 2013, 00:09.

Mar 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9564 f3b2605a-c512-4ea7…
fe7a7c25f1d0
·sjplimp on Mar 4 2013, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9563 f3b2605a-c512-4ea7…
561b3086f8fb
·sjplimp on Mar 4 2013, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9562 f3b2605a-c512-4ea7…
e57c8ddef18c
·sjplimp on Mar 4 2013, 22:38.
Updated fix reax/c/bonds command to remove time averaging. Update the…
9659cf67395b
·athomps on Mar 4 2013, 20:42.
Updated fix reax/c/bonds command to remove time averaging. Update the…
3ae508356094
·athomps on Mar 4 2013, 20:19.
Removed reax/c time-averaging. Replaced integers with chemical symbols in…
cc237b52a6d1
·athomps on Mar 4 2013, 19:43.
Removed reax/c time-averaging and merged reax and reax/c for fix reax/bonds and…
dd0d1ab85095
·athomps on Mar 4 2013, 19:34.
reorder members for better alignment
b5b99ff5798d
·Axel Kohlmeyer on Mar 4 2013, 17:57.
reintroduce changes by steve
13433cf6744a
·Axel Kohlmeyer on Mar 4 2013, 17:57.

Mar 3 2013

small tweak to aid the compiler
33654cc10338
·Axel Kohlmeyer on Mar 3 2013, 01:51.
add new pair style that can handle individual pairs of atoms
c146857aee20
·Axel Kohlmeyer on Mar 3 2013, 01:51.

Mar 1 2013

include lj/long/coul/long versions with respa support
73d3ce64072a
·Axel Kohlmeyer on Mar 1 2013, 23:24.
bugfix for hybrid atom style bug
180144344415
·Axel Kohlmeyer on Mar 1 2013, 23:19.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
52d5d891514b
·Axel Kohlmeyer on Mar 1 2013, 21:01.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3b4a56f1cda5
·Axel Kohlmeyer on Mar 1 2013, 21:00.

Feb 26 2013

fix stupid bug reported by rolf
60f67d9fe925
·Axel Kohlmeyer on Feb 26 2013, 16:16.
Merge remote branch 'lammps-ro/master' into lammps-icms
fb5e2d81ff1c
·Axel Kohlmeyer on Feb 26 2013, 14:28.
Fixed clashes between #define constants in header files
538bd16793ed
·athomps on Feb 26 2013, 01:02.

Feb 25 2013

more files to ignore
62a1f390d653
·Axel Kohlmeyer on Feb 25 2013, 16:51.
allow kspace to be run less frequently than outer pair
4ee921504e95
·Axel Kohlmeyer on Feb 25 2013, 16:44.
cleanup
dd5c4ba1a58a
·Axel Kohlmeyer on Feb 25 2013, 12:14.
add dpd benchmark test
848fe882fd74
·Axel Kohlmeyer on Feb 25 2013, 12:13.

Feb 24 2013

remove redundant code
056f83db2d53
·Axel Kohlmeyer on Feb 24 2013, 14:56.

Feb 23 2013

update documentation for respa/omp and other recent additions
9b0c47282e75
·Axel Kohlmeyer on Feb 23 2013, 18:50.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
abe2cf11a6cc
·Axel Kohlmeyer on Feb 23 2013, 18:31.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
03ffeb1bb4d1
·Axel Kohlmeyer on Feb 23 2013, 18:29.
respa cannot handle 1 level. fix output of levels.
ceaebc68a8c6
·Axel Kohlmeyer on Feb 23 2013, 18:28.
complete the implementation of respa/omp. tested ok.
d2fef46fb3a0
·Axel Kohlmeyer on Feb 23 2013, 18:27.

Feb 22 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9553 f3b2605a-c512-4ea7…
7610df8dab5d
·sjplimp on Feb 22 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9552 f3b2605a-c512-4ea7…
54252ba6594b
·sjplimp on Feb 22 2013, 16:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9550 f3b2605a-c512-4ea7…
73b473015789
·sjplimp on Feb 22 2013, 16:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9549 f3b2605a-c512-4ea7…
b578b548335d
·sjplimp on Feb 22 2013, 16:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9548 f3b2605a-c512-4ea7…
819ea6709a8d
·sjplimp on Feb 22 2013, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9547 f3b2605a-c512-4ea7…
9e16c77b7f69
·sjplimp on Feb 22 2013, 15:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9546 f3b2605a-c512-4ea7…
2e1dd0f24bdc
·sjplimp on Feb 22 2013, 15:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9545 f3b2605a-c512-4ea7…
6ecbe94ce577
·sjplimp on Feb 22 2013, 01:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9544 f3b2605a-c512-4ea7…
16cc21464734
·sjplimp on Feb 22 2013, 00:36.

Feb 21 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
a4699e7f9afd
·Axel Kohlmeyer on Feb 21 2013, 15:10.

Feb 20 2013

prepare to add support for respa/omp. compiles but non-functional
ba8c0bb5bc24
·Axel Kohlmeyer on Feb 20 2013, 22:11.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
9fcf525c40e9
·Axel Kohlmeyer on Feb 20 2013, 20:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9543 f3b2605a-c512-4ea7…
bc793177a39e
·sjplimp on Feb 20 2013, 16:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9542 f3b2605a-c512-4ea7…
4ff021e8f483
·sjplimp on Feb 20 2013, 16:21.
removed symlink
c7f5f10c9236
·Axel Kohlmeyer on Feb 20 2013, 12:54.
simplify flag handling in package omp, add new flag
f5dd8af3efbe
·Axel Kohlmeyer on Feb 20 2013, 12:54.