bcec3c56e4
Merge branch 'patch_14_06_2014' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
lib/cuda/Makefile.lammps
src/pair.cpp
2014-06-15 13:25:09 +02:00
598be75009
anticipate 14 June 2014 patch
2014-06-15 13:19:31 +02:00
fc07ea5d0f
detect and disallow using fix adapt with GPU pair styles.
2014-06-13 10:14:17 -04:00
0de9e4252b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-04 16:40:17 +00:00
ac8485f332
re-instate kokkos related changes that do not trigger the reported bug
2014-03-30 17:16:29 -04:00
ff766e39cf
undo kokkos related changes that cause problems with printing neighbor list statistics
2014-03-30 12:23:08 -04:00
e21cd6d4fa
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2014-03-18 08:37:20 -04:00
8f9b050dfc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-17 22:14:28 +00:00
c6ee3357a4
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/finish.cpp
src/fix.cpp
2014-03-13 06:40:26 -04:00
573db9e2f7
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/fix_oneway.txt
doc/fix_temp_csvr.txt
src/fix_move.cpp
src/fix_nh.cpp
src/fix_temp_csvr.cpp
src/neigh_stencil.cpp
src/pair.cpp
src/pair_hybrid.cpp
src/read_data.cpp
tools/msi2lmp/src/msi2lmp.c
tools/msi2lmp/src/msi2lmp.h
Signed-off-by: Axel Kohlmeyer <akohlmey@gmail.com >
2014-03-12 17:43:22 -04:00
5bdd5c3c25
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-12 16:37:16 +00:00
f7a3672c36
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11620 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 16:04:47 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +00:00
61af282654
move open_potential() from pair.cpp to force.cpp and extend to bonds/angles
2014-02-14 14:17:15 -05:00
396e7165ae
various small cleanups and bugfixes found by checking warnings from clang
2014-02-09 17:47:17 -05:00
2da0db319c
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
doc/Manual.txt
2013-08-24 12:35:11 +02:00
52ec65d466
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10676 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 15:00:16 +00:00
a9230abf54
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:58:38 +00:00
a849251610
fix bug from overeager deletion of unused variables
2013-08-10 04:09:33 +02:00
addeed415a
Merge remote branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
doc/Manual.txt
src/USER-CUDA/verlet_cuda.cpp
tools/msi2lmp/test/runtests.sh
2013-08-03 14:20:18 +02:00
7c306e8048
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10533 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-02 16:54:33 +00:00
9c9f752b3b
silence some warnings, remove dead code
2013-07-13 12:10:37 +02:00
82251837e4
remove unused variables
2013-07-13 11:42:56 +02:00
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
6953408df5
remove comment separator
2013-06-29 15:39:12 +02:00
183c2bd89b
more defensive version of open_potential()
2013-06-29 15:38:01 +02:00
f7e6d8a6c8
remove redundant code
2013-06-29 13:54:44 +02:00
c7183e199a
Merge remote branch 'lammps-ro/master' into lammps-icms
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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
7a2e9ccd2c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10152 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 16:58:26 +00:00
679940817c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10151 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 16:56:27 +00:00
737e5e6c3d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 16:55:37 +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
0d55ad722b
undo manybody check in anticipation of steve's modified version.
2013-06-27 22:50:54 +02:00
b92fa00337
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:15:36 +00:00
afc35427c0
bugfix and use correct namespace.
2013-06-27 20:47:53 +02:00
5d0b32f99f
add utility function that searches in $LAMMPS_POTENTIALS, if a potential is not found in the current directory or indicated path.
2013-06-27 20:27:45 +02:00
0e04550043
massive patch to flag non-numeric input
2013-06-23 14:34:38 +02:00
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
451b01d769
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10035 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-06 14:55:08 +00:00
a1d1b9873a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10017 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-04 20:17:38 +00:00
da77d5e62a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9737 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-03 16:52:29 +00:00
db2aafd8f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9587 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-06 17:17:22 +00:00
a746d1ce48
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-05 00:00:50 +00:00
8ac15dc83f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-19 15:34:11 +00:00
7b8bede0f1
Changes to coulomb tables.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8974 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-17 23:28:42 +00:00
f47d2a82b6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8867 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:11:58 +00:00
33a6f3c60e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8801 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-19 14:31:22 +00:00
1bc399ec36
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8795 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-18 22:55:16 +00:00
dba019f3e4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-28 14:21:55 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
