Diffusion lammps (lammm-master) History

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…

Sep 30 2015

correct explicit NULL pointer dereference bug
f146e718c5bb
·Axel Kohlmeyer on Sep 30 2015, 22:14.
plug memory leak and incorrect handling of pRNGs for changing number of threads…
1583b88406b9
·Axel Kohlmeyer on Sep 30 2015, 22:05.
plug memory leak
051f61a774ed
·Axel Kohlmeyer on Sep 30 2015, 21:40.
remove unlikely potential memory leak and more LAMMPS conforming error handling
651923956374
·Axel Kohlmeyer on Sep 30 2015, 21:30.
Merge branch 'double_free_fixes' into lammps-icms
42d8541415bf
·Axel Kohlmeyer on Sep 30 2015, 21:01.
remove dead code
38cca1c50ba0
·Axel Kohlmeyer on Sep 30 2015, 20:59.
remove pointless check for 64-bit integer overflow
704bddc03a51
·Axel Kohlmeyer on Sep 30 2015, 20:20.
Fix another memory corruption due to double free
b5bd739b9e56
·Richard Berger on Sep 30 2015, 19:22.

Sep 29 2015

Merge branch 'lammps-icms' into bugfixes/double_frees
4ea8fe1250cf
·Richard Berger on Sep 29 2015, 22:55.
Fix memory corruptions due to double frees
03d7c8e00342
·Richard Berger on Sep 29 2015, 22:39.
plug memory leak
863252c22544
·Axel Kohlmeyer on Sep 29 2015, 22:19.
fix memory leak and off-by-one error
b09f5abaaa4c
·Axel Kohlmeyer on Sep 29 2015, 22:10.
fix typo
6884d7dd2d02
·Axel Kohlmeyer on Sep 29 2015, 20:58.
remove dead code
1ee0f5e15d08
·Axel Kohlmeyer on Sep 29 2015, 20:58.
synchronize multi-full neighborlist for OpenMP with serial code.
e40595b2bc7b
·Axel Kohlmeyer on Sep 29 2015, 20:48.
fix typo detected by coverity scan
70d3f68ab7e9
·Axel Kohlmeyer on Sep 29 2015, 20:47.
remove pointless checks for bigint overflows.
568a47c83968
·Axel Kohlmeyer on Sep 29 2015, 20:35.
remove ambiguity on else branch which implied npath == 4
30a0f3cf5c7c
·Axel Kohlmeyer on Sep 29 2015, 19:41.
avoid division by zero
277406923690
·Axel Kohlmeyer on Sep 29 2015, 19:28.
fix typo
65d837506d61
·Axel Kohlmeyer on Sep 29 2015, 18:07.
check for positive return value before calling ftruncate()
38158c71d65c
·Axel Kohlmeyer on Sep 29 2015, 18:07.
fix bug spotted by coverity
9b32d06743f3
·Axel Kohlmeyer on Sep 29 2015, 17:51.

Sep 28 2015

fix uninitialized type error in AIREBO
3e53da15da85
·Axel Kohlmeyer on Sep 28 2015, 23:42.
correct off-by-one error
6efdea9f9737
·Axel Kohlmeyer on Sep 28 2015, 23:14.
make implicit destructors explicit and virtual
88b7691cde1e
·Axel Kohlmeyer on Sep 28 2015, 23:10.
allow variable size host string
b9592245ea97
·Axel Kohlmeyer on Sep 28 2015, 23:09.
incorporate contributed code from jorge ramirez
1000caeceae3
·Axel Kohlmeyer on Sep 28 2015, 21:50.
Merge branch 'compute-rdf-update' into lammps-icms
e0be6ac109c8
·Axel Kohlmeyer on Sep 28 2015, 18:58.
avoid integer overflow in g(r) normalization
d6d5a22871fe
·Axel Kohlmeyer on Sep 28 2015, 18:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7…
a6d7932ef46a
·sjplimp on Sep 28 2015, 14:37.

Sep 27 2015

avoid unintended integer division
11d704091e68
·Axel Kohlmeyer on Sep 27 2015, 18:40.
correct cut-n-paste errors
c8077dd2dea4
·Axel Kohlmeyer on Sep 27 2015, 18:39.
remove dead code
1dfba844d093
·Axel Kohlmeyer on Sep 27 2015, 18:28.
correct out-of-bounds access
d1332822ed3e
·Axel Kohlmeyer on Sep 27 2015, 18:17.
remove dead code
4e236148c4c2
·Axel Kohlmeyer on Sep 27 2015, 13:08.
correct indentation and backeting issues
cffbc1e2008d
·Axel Kohlmeyer on Sep 27 2015, 12:57.
fix memory leak. addresses CID 151590.
c1d110e3dc26
·Axel Kohlmeyer on Sep 27 2015, 12:47.
add missing parenthesis. fixes CID 151102.
474daec73e6d
·Axel Kohlmeyer on Sep 27 2015, 12:44.

Sep 25 2015

Tweak to Kokkos Cuda Makefile allowing it to automatically find the nvcc wrapper
4f4ba3f7bf3e
·stamoor on Sep 25 2015, 20:12.
handle several large integer issues.
e837249c1109
·Axel Kohlmeyer on Sep 25 2015, 18:46.
simplify is_active/available/defined() code and avoid compiler warning
9b02e9ccb0d9
·Axel Kohlmeyer on Sep 25 2015, 16:01.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8ccb8bfd6668
·Axel Kohlmeyer on Sep 25 2015, 15:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14076 f3b2605a-c512-4ea7…
f384db5c2eee
·sjplimp on Sep 25 2015, 00:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14074 f3b2605a-c512-4ea7…
8fd8c25e7c3f
·sjplimp on Sep 25 2015, 00:52.

Sep 24 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14071 f3b2605a-c512-4ea7…
ef4e8f288aa4
·sjplimp on Sep 24 2015, 22:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14068 f3b2605a-c512-4ea7…
9bdec3026069
·sjplimp on Sep 24 2015, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14065 f3b2605a-c512-4ea7…
d2ee16c936ce
·sjplimp on Sep 24 2015, 22:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7…
546186739cec
·sjplimp on Sep 24 2015, 22:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14061 f3b2605a-c512-4ea7…
53a8a038e82b
·sjplimp on Sep 24 2015, 22:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14058 f3b2605a-c512-4ea7…
448b9f66f0fa
·sjplimp on Sep 24 2015, 22:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14053 f3b2605a-c512-4ea7…
a6ff24caa3fb
·sjplimp on Sep 24 2015, 22:01.
roll back potentially broken correction for compute rdf
5002d8357e5a
·Axel Kohlmeyer on Sep 24 2015, 18:06.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2638309e5946
·Axel Kohlmeyer on Sep 24 2015, 14:23.
Slight tweak to Kokkos Cuda Makefile
0cc260a1aff4
·stamoor on Sep 24 2015, 01:06.

Sep 23 2015

implement and document is_available() variable function
7ec2df968035
·Axel Kohlmeyer on Sep 23 2015, 20:31.
implement and document is_defined() special variable function
d3a59aa27b1f
·Axel Kohlmeyer on Sep 23 2015, 18:22.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3af181ab6c05
·Axel Kohlmeyer on Sep 23 2015, 15:55.
Modifed ZBL to accomodate mixing
fe3c6670f6b4
·athomps on Sep 23 2015, 02:30.

Sep 22 2015

Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
38a390738447
·Axel Kohlmeyer on Sep 22 2015, 02:41.
complete preliminary is_active() implementation and add documentation
8e1ab90ed986
·Axel Kohlmeyer on Sep 22 2015, 00:15.

Sep 21 2015

support true/false in addition to yes/no and on/off as constants in variable…
8f04e09f1514
·Axel Kohlmeyer on Sep 21 2015, 19:26.
remove unused variable
1d21e2c08a0c
·Axel Kohlmeyer on Sep 21 2015, 19:26.
remove ineffective newline stripper
cb13bd750661
·Axel Kohlmeyer on Sep 21 2015, 19:02.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
62608e23343f
·Axel Kohlmeyer on Sep 21 2015, 19:00.

Sep 18 2015

Fixed problem with read_dump xyz
ca55525283f0
·athomps on Sep 18 2015, 23:16.
make xyz file reader parse correct .xyz files properly.
8f6f7eb9eef7
·Axel Kohlmeyer on Sep 18 2015, 23:02.

Sep 15 2015

import proposed GPU bugfix from trung.
01bc05a7fc76
·Axel Kohlmeyer on Sep 15 2015, 17:40.
propagate dipoleflag similar to other pair substyle flags.
b1d46d3b35a1
·Axel Kohlmeyer on Sep 15 2015, 17:28.

Sep 13 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e032cd7be69a
·Axel Kohlmeyer on Sep 13 2015, 13:33.

Sep 12 2015

Made insertion work correctly for triclinic
ed7559f32957
·athomps on Sep 12 2015, 18:41.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
5603ea6d27ee
·Axel Kohlmeyer on Sep 12 2015, 12:30.
Fixed triclinic bug in gcmc and qtype bug atom/swap
5cbf3cfba5f1
·athomps on Sep 12 2015, 01:09.

Sep 11 2015

Fixed triclinic bug in gcmc and qtype bug atom/swap
54210d7a9b2f
·athomps on Sep 11 2015, 23:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14032 f3b2605a-c512-4ea7…
41ef5b75a95a
·sjplimp on Sep 11 2015, 17:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14029 f3b2605a-c512-4ea7…
d32cd3cf51ee
·sjplimp on Sep 11 2015, 17:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14028 f3b2605a-c512-4ea7…
d9d9a2a496f2
·sjplimp on Sep 11 2015, 16:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7…
9effcca0df71
·sjplimp on Sep 11 2015, 16:49.

Sep 10 2015

finally re-enable r-RESPA tests and use is_active() to skip them for USER-OMP
06e347d0ee36
·Axel Kohlmeyer on Sep 10 2015, 23:28.
add hooks for is_XXX() functions into variable processing
31505f7e9ecf
·Axel Kohlmeyer on Sep 10 2015, 14:37.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e9602ae36453
·Axel Kohlmeyer on Sep 10 2015, 12:43.
updated makefile for TACC stampede with Xeon Phi support
ffffb27c8e2f
·Axel Kohlmeyer on Sep 10 2015, 03:28.
fix memory leak and NULL pointer dereference in dpd/omp and dpd/tstat/omp
62384bb1b8db
·Axel Kohlmeyer on Sep 10 2015, 02:31.

Sep 9 2015

add optional exit status argument to the quit command
b213e49672a3
·Axel Kohlmeyer on Sep 9 2015, 22:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14022 f3b2605a-c512-4ea7…
8fe7c3d47f76
·sjplimp on Sep 9 2015, 16:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14021 f3b2605a-c512-4ea7…
ebbc55b98892
·sjplimp on Sep 9 2015, 16:04.
fix typo in CORESHELL installer script
ed7e90b5c18e
·Axel Kohlmeyer on Sep 9 2015, 13:26.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d2e0d83dbd01
·Axel Kohlmeyer on Sep 9 2015, 12:23.
recognize more flags in Info::is_active()
0b09895596a6
·Axel Kohlmeyer on Sep 9 2015, 05:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14016 f3b2605a-c512-4ea7…
556bde6dc1b0
·sjplimp on Sep 9 2015, 02:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14015 f3b2605a-c512-4ea7…
abbf8d2878c8
·sjplimp on Sep 9 2015, 01:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14014 f3b2605a-c512-4ea7…
11fea8576926
·sjplimp on Sep 9 2015, 01:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14013 f3b2605a-c512-4ea7…
71054c590af3
·sjplimp on Sep 9 2015, 01:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14012 f3b2605a-c512-4ea7…
9aac00e7ed5c
·sjplimp on Sep 9 2015, 01:55.

Sep 4 2015

partial implementation of Info::is_active/available/defined()
ff299dbb7b88
·Axel Kohlmeyer on Sep 4 2015, 23:29.

Sep 3 2015

make using memory pointers after they are "destroyed" punishable by segfault
8290af67ba58
·Axel Kohlmeyer on Sep 3 2015, 15:47.
undo cosmetic differences between LAMMPS-ICMS and LAMMPS
c503b8736d38
·Axel Kohlmeyer on Sep 3 2015, 12:51.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
31a8e6220b6c
·Axel Kohlmeyer on Sep 3 2015, 12:26.
Merge branch '2sep-patch' into lammps-icms
da3605120c57
·Axel Kohlmeyer on Sep 3 2015, 12:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13995 f3b2605a-c512-4ea7…
daff294b03df
·sjplimp on Sep 3 2015, 02:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13992 f3b2605a-c512-4ea7…
a3017bc09291
·sjplimp on Sep 3 2015, 02:14.

lammps/srclammm-masterb0ffa46a3bb994e3fe0c157…

Sep 30 2015

Sep 29 2015

Sep 28 2015

Sep 27 2015

Sep 25 2015

Sep 24 2015

Sep 23 2015

Sep 22 2015

Sep 21 2015

Sep 18 2015

Sep 15 2015

Sep 13 2015

Sep 12 2015

Sep 11 2015

Sep 10 2015

Sep 9 2015

Sep 4 2015

Sep 3 2015

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…