|
|
1ded28d214
|
bugfix for Vector class scalar division operator. fix return type and value
|
2016-05-03 16:10:03 -04:00 |
|
|
|
11f1ab658f
|
improve test for numeric conversion, so it compiled with gcc 5.3
|
2016-03-21 06:44:05 -04:00 |
|
|
|
dd6c89640e
|
plug memory leak in otherwise currently unused code
|
2015-11-05 11:44:51 -05:00 |
|
|
|
ef44bbaf43
|
clean up a few small issues in lib/atc spotted by coverity
|
2015-10-28 17:33:41 -04:00 |
|
|
|
417a56728c
|
more fixes for C++11 compatibility
|
2015-06-17 16:40:25 -04:00 |
|
|
|
970b0020d0
|
restore temporarily disabled local changes
|
2014-11-21 12:42:51 -05:00 |
|
|
|
8d47d9dc39
|
ATC code cleanup to silence compiler warnings and fix potential bugs
|
2014-11-21 12:42:23 -05:00 |
|
|
|
72bf576c1a
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/compute_force_molecule.cpp
|
2014-11-21 10:05:55 -05:00 |
|
|
|
6981237880
|
undo local customiztions to USER-ATC in order to simplify the merge with upstream
|
2014-11-21 10:04:29 -05:00 |
|
|
|
ac5973073f
|
ATC version 2.0, date: Nov20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-11-20 18:59:03 +00:00 |
|
|
|
838ca5f5d3
|
update build scripts for steve's make system updates
|
2014-09-26 16:01:01 -04:00 |
|
|
|
c6a1747998
|
add compatibility symlink for rpm build
|
2014-09-26 15:41:31 -04:00 |
|
|
|
6483c7344a
|
add makefile using clang to AtC for better code review
|
2014-09-06 16:15:47 +02:00 |
|
|
|
d12eca24b8
|
Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/lmptype.h
|
2014-09-06 15:25:49 +02:00 |
|
|
|
68d424d3fc
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-05 14:24:03 +00:00 |
|
|
|
f803908919
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
|
2014-03-25 11:10:20 -04:00 |
|
|
|
374dd09015
|
remove code under development
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11671 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-03-24 21:07:56 +00:00 |
|
|
|
430aed042a
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Conflicts:
doc/Manual.html
doc/Manual.txt
tools/msi2lmp/src/msi2lmp.c
|
2014-03-20 10:50:23 -04:00 |
|
|
|
68c5f66685
|
Removing untested feature to fix bug affecting Windows builds
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-03-19 21:55:08 +00:00 |
|
|
|
b46ddebe3e
|
Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
|
2013-09-05 14:02:35 +02:00 |
|
|
|
2b9171177d
|
ATC version 2.0, date: Sep1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10708 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-09-01 08:07:51 +00:00 |
|
|
|
2c30d74d8d
|
Merge remote branch 'lammps-ro/master' into lammps-icms
|
2013-08-29 16:14:12 +02:00 |
|
|
|
8d6d4e9289
|
ATC version 2.0, date: Aug28
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10695 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-28 22:16:54 +00:00 |
|
|
|
1ca6fb0f81
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
lib/atc/CbEam.h
src/USER-ATC/Install.sh
|
2013-08-23 13:31:30 +02:00 |
|
|
|
dddbef699d
|
ATC version 2.0, date: Aug22
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10658 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-23 00:14:36 +00:00 |
|
|
|
56e6271883
|
ATC version 2.0, date: Aug22
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10654 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-22 23:31:09 +00:00 |
|
|
|
f93700aa19
|
Correct and cleanup some AtC issues
|
2013-08-22 13:38:00 +02:00 |
|
|
|
6297a32d9b
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Respolved Conflicts:
doc/Manual.txt
lib/atc/CbEam.h
lib/atc/LammpsInterface.cpp
lib/atc/LammpsInterface.h
|
2013-08-22 13:04:27 +02:00 |
|
|
|
d77ab2f96a
|
ATC version 2.0, date: Aug21
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-21 23:06:07 +00:00 |
|
|
|
dfda591ee4
|
do not include path to MPI stub lib for real MPI compile
|
2013-08-13 01:00:24 +02:00 |
|
|
|
3aede794af
|
pair style eam may not be installed (yet)
|
2013-08-13 00:59:47 +02:00 |
|
|
|
1cdb01dfe3
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
lib/atc/Makefile.mingw32-cross
lib/atc/Makefile.mingw32-cross-mpi
lib/atc/Makefile.mingw64-cross
lib/atc/Makefile.mingw64-cross-mpi
lib/atc/Makefile.serial
|
2013-08-10 14:58:38 +02:00 |
|
|
|
d56c9dfd27
|
Removal of superfluous files from lib-atc repository.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10565 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-08 21:21:15 +00:00 |
|
|
|
c52a54587a
|
some tweaks to make the parallel makefile work more smoothly
|
2013-08-08 22:12:20 +02:00 |
|
|
|
08a91514de
|
we must not version control binaries.
|
2013-08-08 19:54:44 +02:00 |
|
|
|
5fa5def2f9
|
make AtC compatible with windows cross compiles
|
2013-08-08 19:54:11 +02:00 |
|
|
|
c99c117e6e
|
ignore dependency files
|
2013-08-08 19:40:26 +02:00 |
|
|
|
6b0ec36c0d
|
remove unwated files
|
2013-08-08 19:39:55 +02:00 |
|
|
|
4704ced070
|
Updating libatc Makefiles to use only current version *.h and *.cpp files.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10564 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-08 15:34:04 +00:00 |
|
|
|
c931a450c0
|
Merge remote-tracking branch 'lammps-ro/master' into atc-merge
Resolved Conflicts:
doc/Manual.txt
src/USER-ATC/Install.sh
tools/msi2lmp/biosym_frc_files/README
|
2013-08-08 14:02:03 +02:00 |
|
|
|
7855ef6dda
|
ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-07 21:34:54 +00:00 |
|
|
|
0e4d1e6b22
|
ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10557 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-08-07 21:29:01 +00:00 |
|
|
|
b0007d45b7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-29 21:27:42 +00:00 |
|
|
|
1cda7f63aa
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10166 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-28 19:32:18 +00:00 |
|
|
|
bfbe995a9c
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10165 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-28 19:30:58 +00:00 |
|
|
|
c3c4b74504
|
add final EOL character
|
2013-06-28 16:38:50 +02:00 |
|
|
|
fb8e8d0646
|
try to handle dependency generation for AtC better
|
2013-06-25 14:13:11 +02:00 |
|
|
|
98b8a2c4f7
|
add MPI support for AtC library
|
2013-06-25 11:25:50 +02:00 |
|
|
|
c9a59e36f9
|
handle adjustable storage sizes correctly
|
2013-06-25 07:35:01 +02:00 |
|
|
|
865b3d696b
|
cross compilation support in AtC
|
2013-06-25 07:22:17 +02:00 |
|