45ede15f1e
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
tools/msi2lmp/src/WriteDataFile05.c
2013-07-02 14:20:12 +02:00
4d3c9dfa9d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10208 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-01 13:52:11 +00:00
8f2a7e9fe4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-01 13:50:50 +00:00
0fe180c77a
include edits from steve to pair style list.
2013-07-01 11:54:48 +02:00
b2806efe09
remove duplicate entry
2013-07-01 11:47:19 +02:00
7a2f87e326
add docs for new pair style
2013-07-01 10:29:12 +02:00
6553258ee9
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
src/DIPOLE/pair_lj_cut_dipole_long.h
src/MAKE/Makefile.openmpi-omp
2013-06-30 12:41:18 +02:00
31f46ba045
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10206 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-29 21:40:58 +00:00
64a5e8313f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10204 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-29 21:33:54 +00:00
f665d2d520
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10202 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-29 21:33:35 +00:00
5761414444
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10195 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-29 20:20:02 +00:00
c7183e199a
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
lib/cuda/Makefile.lammps
src/MOLECULE/dihedral_charmm.cpp
src/pair.h
2013-06-29 13:25:29 +02:00
9958dfe267
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 21:30:18 +00:00
ccf98a2e11
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10180 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 21:20:29 +00:00
253283ba4e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10179 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 21:17:02 +00:00
a5468f1bce
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10178 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 21:00:54 +00:00
fe83b0a86b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10176 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 20:35:12 +00:00
31b1e0b4bf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10156 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 17:21:48 +00:00
6ce870afe3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10154 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 17:19:51 +00:00
6812ed702d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10153 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 17:09:43 +00:00
388c4d9cd6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10149 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 16:38:40 +00:00
86cba5d3b2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10145 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 16:03:37 +00:00
2b1e3a30bd
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
doc/fix_tune_kspace.txt
doc/group2ndx.txt
src/DIPOLE/atom_vec_dipole.cpp
src/DIPOLE/pair_lj_long_dipole_long.cpp
src/MOLECULE/atom_vec_angle.cpp
src/MOLECULE/atom_vec_bond.cpp
src/MOLECULE/atom_vec_full.cpp
src/MOLECULE/atom_vec_molecular.cpp
src/PERI/atom_vec_peri.cpp
src/USER-AWPMD/atom_vec_wavepacket.cpp
src/USER-COLVARS/README
src/USER-EFF/atom_vec_electron.cpp
src/USER-SPH/atom_vec_meso.cpp
src/atom.h
src/atom_vec_atomic.cpp
src/atom_vec_body.cpp
src/atom_vec_charge.cpp
src/atom_vec_ellipsoid.cpp
src/atom_vec_line.cpp
src/atom_vec_sphere.cpp
src/atom_vec_tri.cpp
src/fix_restrain.cpp
src/force.cpp
tools/restart2data.cpp
2013-06-28 13:09:52 +02:00
a92e8c271b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10140 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 00:00:58 +00:00
1e4b3bcf87
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 23:48:54 +00:00
3f5e6b3fab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 23:24:46 +00:00
07c9a7f6a6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10124 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 23:07:29 +00:00
1d29615080
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10122 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 22:56:04 +00:00
38112d0063
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 22:45:24 +00:00
3c0e5bf25c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 21:29:36 +00:00
0d55ad722b
undo manybody check in anticipation of steve's modified version.
2013-06-27 22:50:54 +02:00
be719c0b73
remove non-ascii character
2013-06-27 22:42:12 +02:00
0d6f0c69fd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10102 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 19:57:07 +00:00
33e5f0e99a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10100 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 19:43:07 +00:00
a5d55a6f76
documentation update for colvars
2013-06-27 20:26:10 +02:00
31dccbf319
Merge remote branch 'lammps-ro/master' into lammps-icms
2013-06-27 13:16:00 +02:00
ee41bf3c65
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-26 13:54:51 +00:00
905d93f8c5
doc bugfix from lammps-users mailing list
2013-06-23 14:55:58 +02:00
f3bdaa2823
Merge remote branch 'lammps-ro/master' into lammps-icms
2013-06-19 13:27:07 +02:00
e6d02199ba
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-18 14:05:06 +00:00
7dff116588
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
2013-06-18 13:15:56 +02:00
bb5c918345
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10086 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-17 19:16:03 +00:00
e2a69eaab9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-17 19:14:15 +00:00
c43fe0a6f6
idiot-proof defining bonds with manybody potentials
...
add a test to check if manybody potentials are used with bonds
and (default) exclusion flags that cull pairs from the neighborlist.
now careless use of topology data with resulting in excluded
interactions will generate an error. for the few legitimate use
cases, the test can be turned off.
2013-06-17 21:12:04 +02:00
b7efab2277
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10081 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-17 16:08:18 +00:00
fbdc189121
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10079 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-17 15:20:05 +00:00
dd1b0ebbc5
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
2013-06-15 16:03:01 +02:00
61a1847026
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10076 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-14 14:28:01 +00:00
bdc5a705e9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10074 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-14 14:27:42 +00:00
268774b0f9
include colvars reference documentation in distribution
2013-06-14 12:21:34 +02:00
