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lammm-master-deprecated

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CommitAuthorDetailsCommitted
a6b7299ddc2bAxel Kohlmeyer
Merge branch 'add-voro++' into lammps-icms 
May 21 2013
035ec0845502Axel Kohlmeyer
support only a selected number of target in generic lib makefile. include debug… 
May 21 2013
1fb1e96cb612Axel Kohlmeyer
make installation compatible with bundled voro++ library 
May 21 2013
8c81db3ecfbfAxel Kohlmeyer
add missing source file, rename library to libvoroni.a 
May 21 2013
ec1abcb64185Axel Kohlmeyer
rename directory for simpler scripting 
May 21 2013
c39927fc83c6Axel Kohlmeyer
add customized makefiles 
May 21 2013
be5462e4a75bAxel Kohlmeyer
use a goto instead of costly exception handling. 
May 21 2013
107da6492439Axel Kohlmeyer
add LAMMPS build environment 
May 21 2013
706c4ccdaefdAxel Kohlmeyer
import voro++ version 0.4.5 
May 21 2013
1b1962e505d7Axel Kohlmeyer
include jpeg support for serial-opt config 
May 20 2013
19e0d5e1fa7bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 20 2013
ab502fda5977sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9893 f3b2605a-c512-4ea7… 
May 19 2013
4ed3f4d4310dAxel Kohlmeyer
disable debug info 
May 19 2013
91b79997d142Axel Kohlmeyer
finalized concurrent multi-platform support for windows 32/64 and linux 
May 18 2013
471694a7e7beathomps
Added Strachan citation to rdx, removed Al_Al0_AlN 
May 17 2013
e7f6d3b60cbcathomps
Added ReaxFF.lg citation 
May 17 2013
1c7d97e02eaeAxel Kohlmeyer
support cross-compiling to 64-bit windows 
May 17 2013
cb7ae02e892fAxel Kohlmeyer
don't bark if SMALLBIG is defined externally 
May 17 2013
36aaed90bc8aAxel Kohlmeyer
side-by-side linux and win32 and win64 
May 17 2013
ea70c9719ccbAxel Kohlmeyer
make it compilable with win64 
May 17 2013
46205c160793Axel Kohlmeyer
support using arch specific object directories for libraries, so one can have… 
May 17 2013
639c49115ea1Axel Kohlmeyer
more tweaks to make mingw32 cross compilation working 
May 17 2013
7b7a41ef619fAxel Kohlmeyer
adapt cross-compilation to 32-bit windows for fedora 18 
May 17 2013
bfcebbfca048Axel Kohlmeyer
update building windows binaries with mingw from fedora 18 add 64-bit support 
May 17 2013
378a05b75b46Axel Kohlmeyer
make sure we have atom ids for pair style list 
May 16 2013
aaf5ea413310Axel Kohlmeyer
include docs for list pair style. 
May 16 2013
ddd268bd6fccAxel Kohlmeyer
fix docs for gauss pair styles. 
May 16 2013
5deb90381460Axel Kohlmeyer
integrate list pair style into USER-MISC package. add docs 
May 16 2013
2140b444a405Axel Kohlmeyer
remove references to non-existing source files 
May 15 2013
8ffef71a7fddAxel Kohlmeyer
Merge branch 'colvars-update' into lammps-icms 
May 15 2013
e39428dafa0bAxel Kohlmeyer
fix bug due to unresolved conflict from last merge 
May 15 2013
f43a004f018eAxel Kohlmeyer
update colvars module with support for index files 
May 15 2013
92b062658973Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 15 2013
c191cb296b29Axel Kohlmeyer
Merge branch 'compilation-bugfix' into lammps-icms 
May 15 2013
3929d2bd1d19Axel Kohlmeyer
preconfigure ATC and AWPMD to use internal BLAS/LAPACK 
May 15 2013
7c79e9029abbAxel Kohlmeyer
handle dependency of user-phonon on kspace 
May 15 2013
61f7322e978eAxel Kohlmeyer
eliminate the need for fix atc to pull in all its gory headers 
May 15 2013
d647835187b6Axel Kohlmeyer
update makefile to include README 
May 15 2013
d4f1e9535f97Axel Kohlmeyer
update README for liblinalg 
May 15 2013
22c9c3b3908eAxel Kohlmeyer
update to LAPACK 3.4.2, update Makefile 
May 15 2013
559c81427331Axel Kohlmeyer
update local blas/lapack copy with additional files needed for awpmd update to… 
May 15 2013
53bb83bb33e6Axel Kohlmeyer
make atc and awpmd use the local blas/lapack by default 
May 15 2013
d46b65f17cdbathomps
Added remap keyword to change_box command 
May 14 2013
65f2b0ed7604sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9881 f3b2605a-c512-4ea7… 
May 14 2013
860009b734ecathomps
Added citations to headers 
May 14 2013
e3534cb74e27sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9879 f3b2605a-c512-4ea7… 
May 14 2013
daa776a87d15Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 14 2013
e506467be5bepscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9878 f3b2605a-c512-4ea7… 
May 13 2013
007a1d741c5eAxel Kohlmeyer
properly format index file 
May 13 2013
9340723b8903Axel Kohlmeyer
fix typos 
May 13 2013
208a91224c84sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9876 f3b2605a-c512-4ea7… 
May 13 2013
a4fe6a321eb7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9875 f3b2605a-c512-4ea7… 
May 13 2013
65ddcdb8e159sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9874 f3b2605a-c512-4ea7… 
May 13 2013
d18ead843202Axel Kohlmeyer
update htmldoc input script 
May 13 2013
c836c3b5bc4cAxel Kohlmeyer
add basic documentation for group2ndx command 
May 13 2013
63759a1dfe38Axel Kohlmeyer
Merge branch 'group2ndx' into lammps-icms 
May 13 2013
e0d1dc6c6f86Axel Kohlmeyer
whitespace fixups 
May 13 2013
fbfb6b5194c3Axel Kohlmeyer
remove some dead code 
May 13 2013
13b8aed7e964Axel Kohlmeyer
fix comment text 
May 13 2013
d9b5ec17e8dcAxel Kohlmeyer
added implementation of group2ndx command 
May 13 2013
f2e9c170d57dAxel Kohlmeyer
add support for per atom mass 
May 13 2013
3d7ee1825dc7Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 13 2013
70feaba97dc8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9869 f3b2605a-c512-4ea7… 
May 10 2013
b356ff80e0ccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9868 f3b2605a-c512-4ea7… 
May 10 2013
5e5eca8a5e42sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9867 f3b2605a-c512-4ea7… 
May 10 2013
917ba5d0d7b1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9866 f3b2605a-c512-4ea7… 
May 10 2013
7bf430837659sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9865 f3b2605a-c512-4ea7… 
May 10 2013
00896fb9815dAxel Kohlmeyer
fix typo. 
May 10 2013
fdf13648e219sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9863 f3b2605a-c512-4ea7… 
May 10 2013
fcc9723e820bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9862 f3b2605a-c512-4ea7… 
May 10 2013
aaf9d08e7463sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9861 f3b2605a-c512-4ea7… 
May 10 2013
3d5d72866157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9860 f3b2605a-c512-4ea7… 
May 10 2013
7fa73e72caf3Axel Kohlmeyer
missing changes to user-reaxc 
May 10 2013
feff67ca2eb9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9859 f3b2605a-c512-4ea7… 
May 10 2013
b595c6dc27bcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9858 f3b2605a-c512-4ea7… 
May 10 2013
c1b6654dbc9cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 10 2013
6c5bf6c71a50pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9857 f3b2605a-c512-4ea7… 
May 9 2013
a698f27d85efsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9851 f3b2605a-c512-4ea7… 
May 8 2013
f4c29bb4d81bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9850 f3b2605a-c512-4ea7… 
May 8 2013
07b41bfb6eb8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9848 f3b2605a-c512-4ea7… 
May 8 2013
7018102f9f78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7… 
May 8 2013
bfdbe3ab8764sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9846 f3b2605a-c512-4ea7… 
May 8 2013
c6ca56eff181sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9845 f3b2605a-c512-4ea7… 
May 8 2013
071e06b830c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9839 f3b2605a-c512-4ea7… 
May 8 2013
cb8ee74bcc3bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9838 f3b2605a-c512-4ea7… 
May 8 2013
07071dccd97bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9837 f3b2605a-c512-4ea7… 
May 8 2013
f4714d9c4122sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9836 f3b2605a-c512-4ea7… 
May 8 2013
7e5fec4f3d3asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9835 f3b2605a-c512-4ea7… 
May 8 2013
0ca04bc6b350sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9834 f3b2605a-c512-4ea7… 
May 8 2013
bca7913e816dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9833 f3b2605a-c512-4ea7… 
May 8 2013
173f495c3e7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9832 f3b2605a-c512-4ea7… 
May 8 2013
22fec817cf48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9831 f3b2605a-c512-4ea7… 
May 8 2013
55b4f3efb89asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9829 f3b2605a-c512-4ea7… 
May 8 2013
9248a54da604sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9828 f3b2605a-c512-4ea7… 
May 8 2013
2ea27db3ddafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9827 f3b2605a-c512-4ea7… 
May 8 2013
b1c03442afb1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9825 f3b2605a-c512-4ea7… 
May 8 2013
d1c38bbe2bbcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9824 f3b2605a-c512-4ea7… 
May 8 2013
def6733a9a4csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7… 
May 8 2013
9710ebfa4a66sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9810 f3b2605a-c512-4ea7… 
May 7 2013
a4341de03820sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9809 f3b2605a-c512-4ea7… 
May 7 2013
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