f9f7283fa5
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/accelerator_cuda.h
2014-05-14 07:18:26 -04:00
8a9ba2d050
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11985 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-13 16:52:04 +00:00
f9864c81e0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-13 16:17:32 +00:00
8d4a991b75
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2014-05-13 06:21:50 -04:00
2c60c00b31
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-12 15:26:23 +00:00
6773e3be00
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11971 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-12 15:24:50 +00:00
24fb679e55
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
CResolved onflicts:
doc/Manual.html
doc/Manual.txt
doc/Section_commands.txt
doc/Section_packages.txt
doc/compute_fep.html
doc/compute_fep.txt
doc/fix_adapt_fep.html
doc/fix_adapt_fep.txt
doc/pair_lj_soft.html
doc/pair_lj_soft.txt
src/USER-FEP/Install.sh
src/USER-FEP/README
src/USER-FEP/compute_fep.cpp
src/USER-OMP/pair_coul_cut_soft_omp.cpp
src/USER-OMP/pair_coul_long_soft_omp.cpp
src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
src/USER-OMP/pair_lj_cut_soft_omp.cpp
src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
src/USER-OMP/pair_tip4p_long_soft_omp.cpp
2014-05-10 17:15:55 -04:00
944b898d71
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11956 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:35:51 +00:00
4acacd8e3b
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/MISC/fix_efield.cpp
src/fix_addforce.cpp
src/fix_move.cpp
src/fix_setforce.cpp
2014-05-08 08:49:17 -04:00
4ab16d5388
Added viscosity estimate from diagonal shear stress
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11936 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 16:05:35 +00:00
d906ce46d6
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps-icms
2014-05-03 09:17:34 -04:00
4fbf7105d6
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/MAKE/Makefile.ubuntu
src/USER-REAXC/pair_reax_c.cpp
src/USER-REAXC/reaxc_allocate.cpp
src/USER-REAXC/reaxc_init_md.cpp
src/USER-REAXC/reaxc_list.cpp
src/USER-REAXC/reaxc_multi_body.cpp
src/USER-REAXC/reaxc_reset_tools.cpp
src/USER-REAXC/reaxc_tool_box.cpp
src/USER-REAXC/reaxc_traj.cpp
src/USER-REAXC/reaxc_types.h
src/USER-REAXC/reaxc_vector.cpp
src/write_data.cpp
2014-05-03 08:13:28 -04:00
ec54a12815
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11902 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 20:47:44 +00:00
fbe7484573
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11901 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 20:47:23 +00:00
86843200fd
remove redundant files
2014-05-02 16:24:37 -04:00
99f9652c49
update examples for USER-FEP
2014-04-24 17:46:11 -04:00
e04545e26d
reworked USER-FEP code to emit less warnings and be USER-OMP compatible
2014-04-21 17:16:46 -04:00
1166a4c75a
Merge branch 'lammps-icms' into merge-user-fep
2014-04-19 07:15:45 -04:00
517a48da9a
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/MAKE/Makefile.bgq
src/MAKE/Makefile.bgq.details
src/MC/fix_gcmc.cpp
2014-04-19 07:04:43 -04:00
89044ec1f8
add files missing from previous import of the project
2014-04-18 14:43:25 -04:00
69c06791a5
import USER-FEP package from https://github.com/agiliopadua/compute_fep
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copied the code into the suitable directories and made some adjustments
to include it cleanly. need to think about makeing derived classes, soft
core versions in USER-OMP and also soft-core versions of lj/sdk.
2014-04-18 14:35:23 -04:00
c62e2a91c4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11828 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-18 15:16:49 +00:00
0a1f876f4e
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2014-04-15 18:13:25 -04:00
1f0a6ae006
Fixed broken basal example
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11787 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-14 21:24:23 +00:00
532a4e66fb
Fixed broken examples by adding NULL after stess/atom commands
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11786 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-14 21:08:05 +00:00
d45cca6714
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11776 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-11 14:42:32 +00:00
1f5400e153
correct input scripts to work with the current LAMMPS code
2014-04-11 12:59:20 +02:00
f8daecd639
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
examples/USER/openmp/parm.pegc12e8
examples/USER/openmp/parm.pegc12e8-omp
2014-04-09 13:49:45 +02:00
0b8bc83b4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11737 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-08 16:57:11 +00:00
a683e4f52d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11736 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-08 16:56:46 +00:00
fb3a956155
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
src/atom.cpp
2014-04-08 12:56:10 +02:00
23a0a72df1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11730 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 19:50:55 +00:00
fe1d916552
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11729 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 19:50:17 +00:00
4f41258f5d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11728 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 19:46:46 +00:00
ea0dc91963
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11727 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 19:46:40 +00:00
944ffff4a9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11726 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 19:46:18 +00:00
20bb47e06a
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/fix_qmmm.txt
doc/fix_recenter.txt
lib/README
lib/qmmm/README
src/Makefile
src/USER-QMMM/README
2014-04-05 12:58:39 +02:00
dd00335813
update the colvars example
2014-04-05 05:11:10 -04:00
ca7db502de
add lj/sdk example with charges
2014-04-05 05:10:19 -04:00
4dae1d2d3b
update the PEG-C12E8 CG-CMM example for current LAMMPS version
...
LAMMPS can now read compressed data files and also specify the
potential parameters in the data file for lj/sdk as i,j-pairs.
We also include the style hints, but since we use two angle style
variants that hint was edited out, so there is no warning.
2014-04-05 02:41:41 -04:00
409be2409a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11704 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-04 17:20:54 +00:00
f803908919
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2014-03-25 11:10:20 -04:00
2fb6f59c9f
in development : not for release
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11670 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-24 21:00:46 +00:00
1a516b2ab2
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
2014-02-13 09:01:36 -05:00
8a8636f056
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11551 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 23:09:42 +00:00
3791069665
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11550 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 22:52:36 +00:00
75e0153477
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11549 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 22:51:56 +00:00
6b0f446cfd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11548 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 22:50:21 +00:00
c02bc566ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 22:49:55 +00:00
9a302200ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11546 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 22:49:13 +00:00
