Diffusion lammps (lammm-devel) History

lammps/lib
lammm-devel4a29c877f44a19d544fa724…

Oct 2 2013

add qmmm library support
4a29c877f44a
·Axel Kohlmeyer on Oct 2 2013, 00:12.

Sep 29 2013

add sanity checks for input parameters.
c54da577a246
·Axel Kohlmeyer on Sep 29 2013, 18:25.
include debug info, when compiling MEAM library
7a0aa94a28bf
·Axel Kohlmeyer on Sep 29 2013, 18:24.

Sep 19 2013

need to read index files in binary mode since seeking is not reliable in text…
f632447c4dda
·Axel Kohlmeyer on Sep 19 2013, 21:07.

Sep 5 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
b46ddebe3eef
·Axel Kohlmeyer on Sep 5 2013, 14:02.

Sep 1 2013

ATC version 2.0, date: Sep1
2b9171177d50
·rjones on Sep 1 2013, 10:07.

Aug 29 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
2c30d74d8d0d
·Axel Kohlmeyer on Aug 29 2013, 16:14.
ATC version 2.0, date: Aug28
8d6d4e9289dd
·rjones on Aug 29 2013, 00:16.

Aug 24 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2da0db319c38
·Axel Kohlmeyer on Aug 24 2013, 12:35.

Aug 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10680 f3b2605a-c512-4ea7…
6bb11c07e3fa
·sjplimp on Aug 23 2013, 17:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10669 f3b2605a-c512-4ea7…
205833eaadb9
·sjplimp on Aug 23 2013, 16:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10668 f3b2605a-c512-4ea7…
22751a2aaef2
·sjplimp on Aug 23 2013, 16:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7…
402d1a8605fd
·sjplimp on Aug 23 2013, 16:41.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ca6fb0f8160
·Axel Kohlmeyer on Aug 23 2013, 13:31.
ATC version 2.0, date: Aug22
dddbef699d3e
·rjones on Aug 23 2013, 02:14.
ATC version 2.0, date: Aug22
56e627188382
·jzimmer on Aug 23 2013, 01:31.

Aug 22 2013

Correct and cleanup some AtC issues
f93700aa195e
·Axel Kohlmeyer on Aug 22 2013, 13:38.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6297a32d9b46
·Axel Kohlmeyer on Aug 22 2013, 13:04.
ATC version 2.0, date: Aug21
d77ab2f96a57
·rjones on Aug 22 2013, 01:06.

Aug 13 2013

do not include path to MPI stub lib for real MPI compile
dfda591ee4b9
·Axel Kohlmeyer on Aug 13 2013, 01:00.
pair style eam may not be installed (yet)
3aede794af9f
·Axel Kohlmeyer on Aug 13 2013, 00:59.

Aug 10 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1cdb01dfe3b9
·Axel Kohlmeyer on Aug 10 2013, 14:58.

Aug 8 2013

Removal of superfluous files from lib-atc repository.
d56c9dfd2739
·jzimmer on Aug 8 2013, 23:21.
fix permissions
3c17e7c07c8a
·Axel Kohlmeyer on Aug 8 2013, 22:17.
some tweaks to make the parallel makefile work more smoothly
c52a54587a8c
·Axel Kohlmeyer on Aug 8 2013, 22:12.
we must not version control binaries.
08a91514de84
·Axel Kohlmeyer on Aug 8 2013, 19:54.
make AtC compatible with windows cross compiles
5fa5def2f97a
·Axel Kohlmeyer on Aug 8 2013, 19:54.
add BLAS/LAPACK files required to support AtC 2.0
b806ad5c43eb
·Axel Kohlmeyer on Aug 8 2013, 19:47.
ignore dependency files
c99c117e6e32
·Axel Kohlmeyer on Aug 8 2013, 19:40.
remove unwated files
6b0ec36c0d67
·Axel Kohlmeyer on Aug 8 2013, 19:39.
Updating libatc Makefiles to use only current version *.h and *.cpp files.
4704ced070e9
·jzimmer on Aug 8 2013, 17:34.
Merge remote-tracking branch 'lammps-ro/master' into atc-merge
c931a450c093
·Axel Kohlmeyer on Aug 8 2013, 14:02.

Aug 7 2013

ATC version 2.0, date: Aug7
7855ef6ddac4
·rjones on Aug 7 2013, 23:34.
ATC version 2.0, date: Aug7
0e4d1e6b2274
·rjones on Aug 7 2013, 23:29.

Aug 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10519 f3b2605a-c512-4ea7…
9adfd0cac12f
·sjplimp on Aug 2 2013, 17:02.

Aug 1 2013

implement a more portable version of the the clock_gettime workaround
a6ceede04a36
·Axel Kohlmeyer on Aug 1 2013, 10:47.

Jul 26 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10425 f3b2605a-c512-4ea7…
c7e503985706
·sjplimp on Jul 26 2013, 18:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10415 f3b2605a-c512-4ea7…
d65b922bb287
·sjplimp on Jul 26 2013, 17:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10414 f3b2605a-c512-4ea7…
1a4bead19080
·sjplimp on Jul 26 2013, 17:43.
re-instate Makefile.lammps
434c695e3927
·Axel Kohlmeyer on Jul 26 2013, 11:40.
make USER-CUDA compile with current LAMMPS-ICMS
e6f6722365f3
·Axel Kohlmeyer on Jul 26 2013, 11:02.

Jun 29 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7…
b0007d45b732
·sjplimp on Jun 29 2013, 23:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10198 f3b2605a-c512-4ea7…
e954b14d996f
·sjplimp on Jun 29 2013, 23:23.
Merge remote branch 'lammps-ro/master' into lammps-icms
c7183e199aad
·Axel Kohlmeyer on Jun 29 2013, 13:25.

Jun 28 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10166 f3b2605a-c512-4ea7…
1cda7f63aaa0
·sjplimp on Jun 28 2013, 21:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10165 f3b2605a-c512-4ea7…
bfbe995a9cc0
·sjplimp on Jun 28 2013, 21:30.
add final EOL character
c3c4b7450496
·Axel Kohlmeyer on Jun 28 2013, 16:38.
permission cleanup
1c337c837cac
·Axel Kohlmeyer on Jun 28 2013, 13:15.
Merge remote branch 'lammps-ro/master' into lammps-icms
2b1e3a30bd1a
·Axel Kohlmeyer on Jun 28 2013, 13:09.
yet another path fix for x-compile.
7b2f24f05129
·Axel Kohlmeyer on Jun 28 2013, 11:12.
one more time
e801cc0f392c
·Axel Kohlmeyer on Jun 28 2013, 10:44.
two more paths need to be corrected
2020a3abbb86
·Axel Kohlmeyer on Jun 28 2013, 10:27.
update gpu tool makefile for changed paths
016dac9c1136
·Axel Kohlmeyer on Jun 28 2013, 10:21.
correct path to MPICH mpi library
6c4e44ad0d2f
·Axel Kohlmeyer on Jun 28 2013, 06:53.
makefiles for building the GPU library
8dc2a751a0e5
·Axel Kohlmeyer on Jun 28 2013, 02:31.
updates for compiling LAMMPS on windows with OpenCL support
7e0fef793d15
·Axel Kohlmeyer on Jun 28 2013, 01:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10119 f3b2605a-c512-4ea7…
6dc244769531
·sjplimp on Jun 28 2013, 00:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10118 f3b2605a-c512-4ea7…
4da20dce992f
·sjplimp on Jun 28 2013, 00:48.

Jun 27 2013

documentation update for colvars
a5d55a6f764a
·Axel Kohlmeyer on Jun 27 2013, 20:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10099 f3b2605a-c512-4ea7…
8b031ab60933
·sjplimp on Jun 27 2013, 16:21.
port to current mingw package
f5bec5011a76
·Axel Kohlmeyer on Jun 27 2013, 14:57.

Jun 26 2013

start of setting up building the gpu library
eee639db2fb4
·Axel Kohlmeyer on Jun 26 2013, 15:41.
remove outdated msm gpu library code
50a03de73b05
·Axel Kohlmeyer on Jun 26 2013, 11:40.

Jun 25 2013

try to handle dependency generation for AtC better
fb8e8d064662
·Axel Kohlmeyer on Jun 25 2013, 14:13.
add wrapper makefiles that allow to use non-MPI libraries and makefiles
d45dd25ce646
·Axel Kohlmeyer on Jun 25 2013, 11:50.
add MPI support for AtC library
98b8a2c4f744
·Axel Kohlmeyer on Jun 25 2013, 11:25.
handle adjustable storage sizes correctly
c9a59e36f9fa
·Axel Kohlmeyer on Jun 25 2013, 07:35.
cross compilation support in AtC
865b3d696bbb
·Axel Kohlmeyer on Jun 25 2013, 07:22.
port AWPMD to cross compilation with mingw
2e5f2ba1e84e
·Axel Kohlmeyer on Jun 25 2013, 00:31.

Jun 23 2013

import changes from colvars repo
0024e1afc3a9
·Axel Kohlmeyer on Jun 23 2013, 14:49.

Jun 19 2013

provide meaningful log message when re-initializing masses
6f48ddb24fb1
·Axel Kohlmeyer on Jun 19 2013, 00:51.
more changes to support late initialization of masses
7d444dcb714b
·Axel Kohlmeyer on Jun 19 2013, 00:22.

Jun 18 2013

import colvar module changes that allow resetting masses
5a7dd0e74e1c
·Axel Kohlmeyer on Jun 18 2013, 23:13.

Jun 14 2013

update for building lib/meam with mingw cross compilers
9eeccbfffbad
·Axel Kohlmeyer on Jun 14 2013, 20:59.
tweak to colvarmodule output
601856713494
·Axel Kohlmeyer on Jun 14 2013, 12:19.

Jun 13 2013

update colvars library
8cd52ce9a9ac
·Axel Kohlmeyer on Jun 13 2013, 14:51.

Jun 11 2013

remove comment within comment
0b32ec3147de
·Axel Kohlmeyer on Jun 11 2013, 09:17.
small updates/corrections from giacomo
0567f76d4c67
·Axel Kohlmeyer on Jun 11 2013, 06:16.

Jun 10 2013

whitespace fixes in colvars library
e03889338515
·Axel Kohlmeyer on Jun 10 2013, 14:47.

Jun 9 2013

avoid spurious error on clean target
df0dcfd99bfb
·Axel Kohlmeyer on Jun 9 2013, 16:31.
fix compile error
73452096d683
·Axel Kohlmeyer on Jun 9 2013, 16:26.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e240e15c4d5f
·Axel Kohlmeyer on Jun 9 2013, 14:35.

Jun 8 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10053 f3b2605a-c512-4ea7…
3e5c7ae60f03
·sjplimp on Jun 8 2013, 23:43.

Jun 7 2013

update version number
3d664382ae72
·Axel Kohlmeyer on Jun 7 2013, 14:43.
update colvars library from github repo
df08be2f013f
·Axel Kohlmeyer on Jun 7 2013, 14:39.
updated the README with github URLs
916211df3370
·Axel Kohlmeyer on Jun 7 2013, 14:33.
ignore Makefile.lammps entries as they are generated
6354d994c21a
·Axel Kohlmeyer on Jun 7 2013, 14:25.
update makefiles to reflect changes in the build procedure
2a9ada3ce42b
·Axel Kohlmeyer on Jun 7 2013, 14:25.

Jun 5 2013

fix up build system
a87e2f87097e
·Axel Kohlmeyer on Jun 5 2013, 14:14.
update of colvars library
77ed62b93ba1
·Axel Kohlmeyer on Jun 5 2013, 14:12.

Jun 1 2013

add makefiles for building 32-bit executables on 64-bit x86 Linux
5da358bf54d3
·Axel Kohlmeyer on Jun 1 2013, 18:34.
port makefiles to changed build in lib/ tree
ae439884d4e0
·Axel Kohlmeyer on Jun 1 2013, 18:33.
Merge remote branch 'lammps-ro/master' into lammps-icms
ce2b853e4a11
·Axel Kohlmeyer on Jun 1 2013, 13:53.

May 31 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9992 f3b2605a-c512-4ea7…
52b3a24e2a12
·sjplimp on May 31 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9991 f3b2605a-c512-4ea7…
bc5c1ace49d5
·sjplimp on May 31 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9990 f3b2605a-c512-4ea7…
4c5ae335d43d
·sjplimp on May 31 2013, 17:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9989 f3b2605a-c512-4ea7…
2a704420358c
·sjplimp on May 31 2013, 17:35.

May 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9983 f3b2605a-c512-4ea7…
6b0299ef8b29
·sjplimp on May 30 2013, 23:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9981 f3b2605a-c512-4ea7…
e56c4a1358a0
·sjplimp on May 30 2013, 22:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9980 f3b2605a-c512-4ea7…
7644b9955f9b
·sjplimp on May 30 2013, 22:10.

lammps/liblammm-devel4a29c877f44a19d544fa724…

Oct 2 2013

Sep 29 2013

Sep 19 2013

Sep 5 2013

Sep 1 2013

Aug 29 2013

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May 30 2013

lammps/lib
lammm-devel4a29c877f44a19d544fa724…