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ee8dcb331a
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import 64-bit version of MPICH2 for windows
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2013-06-25 13:15:48 +02:00 |
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d6f22e741f
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set proper names for package
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2013-06-25 12:19:31 +02:00 |
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3c4b5f9456
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fix bug in adjusting version scripts for installer.
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2013-06-25 12:16:48 +02:00 |
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63c840a3ff
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support building installers for MPI versions as well
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2013-06-25 12:15:17 +02:00 |
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cda33d888d
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include windows 32bit parts to build LAMMPS with MPICH2
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2013-06-25 12:05:32 +02:00 |
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d22bb59fde
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add x-compile support for windows with MPICH2 installed
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2013-06-25 12:04:22 +02:00 |
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d45dd25ce6
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add wrapper makefiles that allow to use non-MPI libraries and makefiles
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2013-06-25 11:50:00 +02:00 |
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98b8a2c4f7
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add MPI support for AtC library
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2013-06-25 11:25:50 +02:00 |
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c3d46ef546
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include PATH environment variable update
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2013-06-25 10:14:55 +02:00 |
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deb7190c2b
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remove obsolete files
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2013-06-25 09:33:42 +02:00 |
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07e5b21a8e
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update PATH variable with installer and write installers in build script
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2013-06-25 09:32:55 +02:00 |
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c9a59e36f9
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handle adjustable storage sizes correctly
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2013-06-25 07:35:01 +02:00 |
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865b3d696b
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cross compilation support in AtC
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2013-06-25 07:22:17 +02:00 |
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fc3042a101
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enable exceptions and rtti so we can include atc and awpmd
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2013-06-25 07:16:08 +02:00 |
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82dfa28735
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don't overload powers at all with mingw
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2013-06-25 07:15:42 +02:00 |
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9ee98171b5
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add build info token to installer script; add 64-bit version
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2013-06-25 07:15:02 +02:00 |
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0734c66f6f
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rename and expand windows x-compile script.
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2013-06-25 07:14:23 +02:00 |
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f619c4c470
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start of a more systematic build and install procedure
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2013-06-25 00:38:20 +02:00 |
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58ff362473
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support preprocessor defines for 32-bit/64-bit integer selection
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2013-06-25 00:35:03 +02:00 |
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2e5f2ba1e8
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port AWPMD to cross compilation with mingw
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2013-06-25 00:31:43 +02:00 |
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6badb343e9
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add-on to previous bugfix. couple more locations that need it.
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2013-06-24 19:11:04 +02:00 |
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3daae9be19
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fix segfault for write_data without local bonds/angles/dihedrals/impropers.
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2013-06-24 18:42:04 +02:00 |
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905d93f8c5
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doc bugfix from lammps-users mailing list
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2013-06-23 14:55:58 +02:00 |
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0024e1afc3
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import changes from colvars repo
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2013-06-23 14:49:38 +02:00 |
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be80b0fa14
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Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps-icms
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2013-06-23 14:41:51 +02:00 |
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0e04550043
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massive patch to flag non-numeric input
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2013-06-23 14:34:38 +02:00 |
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b319ae5ae0
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published COMPASS parameters collected by Paul Saxe
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2013-06-22 14:51:52 +02:00 |
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b60eac7278
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Merge remote branch 'lammps-ro/master' into lammps-icms
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2013-06-21 15:24:23 +02:00 |
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9ff362c8d3
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better bugfix for charmm dihedral check with hybrid dihedrals
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2013-06-20 23:24:22 +02:00 |
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2a9c0113ba
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bugfix for charmm weight factor check
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2013-06-20 23:12:06 +02:00 |
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cf9054f3ff
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fixed bug for Tp_BIAS
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-20 14:41:46 +00:00 |
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94e2152242
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bugfix for biasing in fix langevin
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2013-06-20 15:46:23 +02:00 |
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6ed180b82a
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import bugfix from rolf isele-holder
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2013-06-19 18:09:00 +02:00 |
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76f8e8be56
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add missing file to manual generation script
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2013-06-19 18:03:30 +02:00 |
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60a71cf40c
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mention fedora 17 in addition to fedora 18
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2013-06-19 17:58:51 +02:00 |
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516c2f9872
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restore calls that were accidentally removed
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2013-06-19 13:28:55 +02:00 |
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f3bdaa2823
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Merge remote branch 'lammps-ro/master' into lammps-icms
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2013-06-19 13:27:07 +02:00 |
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ab6a2a3d30
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since we use unwrapped coordinates, we must not compute the minimum image unless specifically asked for it.
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2013-06-19 00:54:06 +02:00 |
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9ec60113f9
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elminate obsolete code
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2013-06-19 00:51:24 +02:00 |
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6f48ddb24f
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provide meaningful log message when re-initializing masses
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2013-06-19 00:51:12 +02:00 |
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7d444dcb71
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more changes to support late initialization of masses
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2013-06-19 00:22:43 +02:00 |
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5a7dd0e74e
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import colvar module changes that allow resetting masses
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2013-06-18 23:13:31 +02:00 |
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8f1e6abfa7
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support switching to -DLAMMPS_SMALLSMALL on 32-bit platforms
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2013-06-18 20:24:28 +02:00 |
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684938e30e
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add preprocessor directives like in mainline LAMMPS for automated build
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2013-06-18 20:24:01 +02:00 |
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e6d02199ba
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-18 14:05:06 +00:00 |
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d84b3c190d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10088 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-18 14:04:16 +00:00 |
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0b60341150
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more dynamic linkage for a cleaner nsis installer
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2013-06-18 14:18:18 +02:00 |
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a8b932ff86
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another round of webpage tweaks. looking good.
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2013-06-18 13:32:22 +02:00 |
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7dff116588
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-06-18 13:15:56 +02:00 |
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395c46119b
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Merge branch 'exclusion-test' of ws18.icms.temple.edu:compile/lammps-icms into lammps-icms
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2013-06-18 13:13:56 +02:00 |
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