Commit Graph

91 Commits

Author SHA1 Message Date
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