2a8c1add90
disable building delta rpms
2016-04-13 10:57:50 -04:00
739b14fae0
remove obsolete code
2016-03-11 15:43:22 -05:00
bce9b641f4
remove duplicate copy of fastdep tool.
2016-03-11 06:45:45 -05:00
ec96d05bc1
remove bogus include and fix path separator bug
2016-03-08 07:34:12 -05:00
f5d7fdd19a
rewrite fastdep in C, some optimizations added and windows compatibility(?)
2016-03-08 07:18:57 -05:00
749ac0560f
use the new fastdep tool for dependencies
2016-03-06 10:55:17 -05:00
41d65eedf4
adapt mkdep.c for building LAMMPS
2016-02-27 15:58:17 +01:00
ee99970793
import mkdep.c from the linux 2.4 kernel source
2016-02-27 15:09:40 +01:00
5a53d7be51
fix typo in excluding user-vtk
2016-02-06 09:36:26 -05:00
fb6fbe8c83
exclude user-vtk from package builds
2016-02-06 09:23:41 -05:00
7e1972ef8b
add message about changes
2016-01-14 22:41:05 -05:00
a1e6d7d24f
add a warning, if parameters for nonbonded are missing.
2016-01-14 22:33:27 -05:00
dc40129746
support marker IMPROPERS in addition to IMPROPER
...
CGenFF/Charmm-GUI generated parameter files and other recent CHARMM parameter files seem to be using the marker IMPROPERS instead of IMPROPER. with this change, both are recognized and translated to the same number (4).
2016-01-14 19:20:59 -05:00
f5cf3008dd
added new (fast/small) test example for PCFF with ignore flag set
2016-01-03 16:21:34 -05:00
1aeecfb0cf
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.txt
# doc/pair_reax.html
# src/USER-PHONON/fix_phonon.cpp
2015-12-16 07:31:09 -05:00
074d5962c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 15:59:11 +00:00
5f802f86b5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 15:59:01 +00:00
b1df2f7705
update webpages for recent changes and newly supported distributions
2015-11-23 16:35:13 -05:00
d7e8881d15
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-11-20 06:52:38 -05:00
b857237fef
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-19 15:34:38 +00:00
d30955e5b3
Determine vendor and release more reliably for newer Fedora releases
2015-11-03 17:31:32 -05:00
1e9a4cc4b8
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.html
# doc/Manual.txt
# src/REAX/fix_reax_bonds.cpp
# src/REAX/fix_reax_bonds.h
# src/REAX/pair_reax.cpp
# src/USER-MGPT/pair_mgpt.cpp
# src/USER-SMTBQ/pair_smtbq.cpp
# src/lammps.cpp
# src/timer.cpp
2015-10-31 10:54:08 -04:00
0aa77408f8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
01e0beda67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:44:45 +00:00
3bbba19e85
correct bug in cleanup script and update permissions accordingly
2015-10-27 07:07:38 -04:00
f634a5e140
remove executable flag from makefiles
2015-10-26 22:41:04 -04:00
86948924ca
rephrase msi2lmp force field error message
2015-10-24 01:20:32 -04:00
97cd8b401e
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
adfaeadf63
add opls-aa test with decane molecules
2015-10-24 00:55:02 -04:00
104d5890b2
step version number and document changes
2015-10-24 00:53:06 -04:00
94618089ad
add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file
2015-10-23 23:31:55 -04:00
f19a7fa99c
update RPM build instructions and spec file for Fedora 23
2015-10-16 15:27:29 -04:00
8ccb8bfd66
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.html
# doc/Manual.txt
# doc/variable.txt
# src/reader_xyz.cpp
2015-09-25 09:52:07 -04:00
2ed7d366a6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:16:09 +00:00
37ed9409a7
do not build pre-compiled packages with hdf5 support for now
2015-08-28 14:50:11 -04:00
e5f316ecf1
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
# doc/Section_start.txt
# doc/dump_h5md.html
# doc/dump_h5md.txt
# doc/package.txt
# src/COMPRESS/dump_atom_gz.cpp
# src/Makefile
# src/USER-H5MD/README
# src/pair.cpp
2015-08-20 07:42:31 -04:00
16eed7a053
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13902 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 14:39:33 +00:00
7be9bc38a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13900 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 14:33:40 +00:00
650bc50f5c
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-08-15 06:53:54 -04:00
24bf97204b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-14 14:56:57 +00:00
5107280519
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
2015-08-06 00:51:11 -04:00
d7e358c359
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-04 20:56:54 +00:00
b0dec93ffb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-04 18:54:11 +00:00
57ed470003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-04 18:48:13 +00:00
6c8830b828
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
2015-07-28 13:26:45 -04:00
d58afbcc48
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13730 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-27 14:58:04 +00:00
6cb173f5db
tweaks for memory info on windws and cross compilation
2015-07-16 17:20:16 -04:00
b0f70de6f5
update handling of PATH environment to no longer kill it if too long
2015-06-27 15:22:07 -04:00
cfdc159e39
where did the intel package examples go?
2015-06-16 16:25:01 -04:00
4e8b188ad0
there are no intel examples anymore which breaks cross-compilation
2015-06-16 15:19:50 -04:00
