068898765a
second round of making per-atom allocations consistent.
...
now all sections that dimension per-atom local arrays to atom->nmax
will also *test* for atom->nmax and thus we avoid potential segfaults
in all cases where atom->nlocal or atom->nlocal+atom->nghost are 0.
it doesn't make sense to test for these if the arrays are dimensioned
to atom->nmax afterwards anyway.
2016-05-13 15:10:26 -04:00
c5f83fc7dd
adjust compute temp/partial behavior as suggested by aidan
2016-04-27 09:34:45 -04:00
8092a1adc1
correct logic for detecting illegal x/y/z-flag arguments for compute temp/partial
2016-04-26 08:59:07 -04:00
94106ade6f
properly account for global translation DOFs
2016-04-26 08:52:44 -04:00
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
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
187ba17f5a
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
2015-04-02 13:28:41 -04:00
d497d65930
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13353 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-01 14:41:30 +00:00
95e13af098
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
src/USER-EFF/compute_temp_eff.cpp
src/USER-MISC/compute_temp_rotate.cpp
src/compute_temp.cpp
2015-04-01 09:03:28 -04:00
269bff4b14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13344 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-31 18:47:58 +00:00
a029b21f77
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-03-31 08:20:54 -04:00
bd37304ade
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-30 23:17:06 +00:00
03d5a087c9
Merge remote branch 'lammps-ro/master' into lammps-icms
2015-03-06 12:15:05 +01:00
98c263cd00
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13194 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-05 15:40:04 +00:00
d3a1cb6675
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
2015-02-09 12:05:50 -05:00
e57c7828a9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13075 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-06 20:39:07 +00:00
416f6c25e5
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
2014-11-18 10:26:44 -05:00
b7ece0fb51
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-17 18:11:29 +00:00
4ea728dc80
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-25 16:01:17 +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
53db68362e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 14:30:27 +00:00
0e04550043
massive patch to flag non-numeric input
2013-06-23 14:34:38 +02:00
3cd3e2febd
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
src/USER-OMP/pppm_cg_omp.cpp
src/USER-OMP/pppm_cg_omp.h
src/USER-OMP/pppm_omp.cpp
src/USER-OMP/pppm_omp.h
src/USER-OMP/pppm_tip4p_omp.cpp
src/kspace.h
2013-02-13 13:56:03 +01:00
5c635d47eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-12 23:09:54 +00:00
005af0243c
next try at having thread safe temperature bias removal/restoration
2013-02-10 14:06:55 +01:00
52a2ba456a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-10 00:09:16 +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
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
fbb475b9cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 21:13:51 +00:00
5dff8e2577
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-05-14 17:05:36 +00:00
69d350af34
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-03 17:45:22 +00:00
180f47525d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2795 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-04-30 20:59:46 +00:00
16ef076c31
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2780 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-04-29 16:54:06 +00:00
94ddc19477
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-02-12 21:36:52 +00:00
0cc1d090f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-05 22:26:08 +00:00
903ddfe4a0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1657 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-21 00:34:03 +00:00
2e8b9cf4b4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-21 00:14:38 +00:00
a49e234a37
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-20 17:35:20 +00:00
4b237db3de
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1653 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-20 15:32:33 +00:00
08e197abc7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1652 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-20 15:07:44 +00:00
ebe2ee9bac
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1651 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-20 14:53:21 +00:00
d0e374e4c3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1591 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-11 17:15:30 +00:00
b2e9f7dc10
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-02 19:24:46 +00:00
08fd907f75
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@584 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-05-22 21:03:57 +00:00
284c1f2d04
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@255 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-01-30 00:31:11 +00:00
