063fae8961
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2014-06-11 06:15:59 -04:00
7e1c6ccfac
Fixing more broken USER-EFF examples
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12113 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-10 18:17:25 +00:00
fcb81d2b48
Fixing broken USER-EFF examples
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12110 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-10 17:00:33 +00:00
00db690e64
Updating USER-EFF examples to use compute property/atom
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-10 16:07:24 +00:00
28b9fa3754
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12107 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-10 15:03:41 +00:00
1ee7cb100d
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/atom_vec_hybrid.cpp
src/verlet.cpp
2014-06-07 19:29:51 -04:00
8dad71810c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-05 12:52:13 +00:00
f9f7283fa5
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/accelerator_cuda.h
2014-05-14 07:18:26 -04:00
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
24fb679e55
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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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
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
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
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
f8daecd639
Merge remote branch 'lammps-ro/master' into lammps-icms
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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
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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
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
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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
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
2e8da581f2
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
src/Makefile
src/kspace.h
2013-11-09 10:55:49 +01:00
bb589062a3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10990 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-07 20:07:43 +00:00
5c97843367
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10989 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-07 20:05:59 +00:00
dc1278ee51
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
doc/Section_commands.txt
doc/Section_start.txt
doc/dump_image.txt
doc/dump_modify.txt
doc/write_dump.txt
src/USER-PHONON/fix_phonon.cpp
src/dump_movie.cpp
src/write_dump.cpp
2013-11-05 13:37:27 +01:00
90a2bccf83
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10956 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-04 20:54:41 +00:00
ada81ca2e0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-02 13:29:44 +00:00
78474bfe02
update the input for current LAMMPS
2013-09-29 18:32:56 +02:00
00d9f400ba
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
2013-09-13 12:43:54 +02:00
3d6369b7f5
Removing "stdout" files
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10771 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-09-12 19:52:08 +00:00
b46ddebe3e
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
2013-09-05 14:02:35 +02:00
5302074b3f
ATC version 2.0, date: Sep1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10709 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-09-01 08:07:54 +00:00
2c30d74d8d
Merge remote branch 'lammps-ro/master' into lammps-icms
2013-08-29 16:14:12 +02:00
07e3b8c7d7
ATC version 2.0, date: Aug28
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10696 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-28 22:16:56 +00:00
1ca6fb0f81
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Resolved Conflicts:
lib/atc/CbEam.h
src/USER-ATC/Install.sh
2013-08-23 13:31:30 +02:00
31b31f0a6a
ATC version 2.0, date: Aug22
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 00:14:37 +00:00
eacdc7e58c
not for release
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-22 23:54:35 +00:00
a04f267b54
ATC version 2.0, date: Aug22
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-22 23:31:13 +00:00
