3ca518703c
updated and slightly refactored tabulation for vashishta pair style
...
- tables are now dimensioned by nelements instead of ntypes
- tables are only created if used
- correctly identify max size of table
- add test for illegal cutoff for tabulation
- allocated memory for tables is accounted for
- add example input using 16-bit tables
2016-08-27 22:36:17 -04:00
36bc96ea61
revised fix_flow_gauss
2016-08-23 09:54:46 -06:00
5a5a10c75f
revised fix_flow_gauss
2016-08-23 09:46:08 -06:00
95755ba8b2
Added fix_gaussflow
2016-08-22 15:47:43 -06:00
20e0ae3645
adapt input to no longer fail with recent thermo changes
2016-08-11 18:14:23 -04:00
433741564d
add run 0 to USER-TALLY examples to enforce shake constraints on step 0
2016-08-10 20:25:44 -04:00
aef16fed2a
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-08-10 07:26:12 -04:00
3349f7e143
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-09 23:25:06 +00:00
78b47137ba
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-08-06 07:22:53 -04:00
1780c86b86
Fixed error in ave/time version
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-05 17:53:52 +00:00
3fe162a42d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-05 15:11:09 +00:00
e3eb617652
update several old input files to current syntax
2016-07-31 18:32:48 -04:00
1d17eed48c
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-07-31 06:54:57 -04:00
ee86bd2463
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-30 14:45:26 +00:00
5d0a755ef7
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-07-14 06:16:53 -04:00
b3aeb43a93
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15300 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-13 21:35:51 +00:00
d90f91f047
update USER-HARDRESS example inputs to work with a current LAMMPS version and produce reference outputs.
2016-06-29 15:52:01 -04:00
e1d589bc8d
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-06-29 07:16:27 -04:00
cec2f2518f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15225 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-28 13:23:54 +00:00
1bfe3a3ff5
Merge branch 'merge-pull-100' into lammps-icms
2016-06-24 14:30:41 -04:00
6ba8906ce2
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge-pull-100
2016-06-24 14:00:24 -04:00
824c0a3596
HADRESS_Version_24_Jun_2016
2016-06-24 15:49:52 +02:00
1647a54020
Fix missing newlines in a few USER-DPD example input files.
2016-06-23 10:43:19 -04:00
297f31387f
Restore use of "atom_style atomic" in two of the USER-DPD examples.
2016-06-23 10:28:29 -04:00
2f5827189b
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge-pull-100
2016-06-20 13:04:18 -04:00
d40eaf9942
HADRESS_NEW_REVISION
2016-06-20 18:11:52 +02:00
4e62aa6510
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge-pull-100
2016-06-20 12:05:59 -04:00
10435ca8dc
HADRESS_NEW_REVISION
2016-06-20 17:49:11 +02:00
a23a2407a7
USER-DPD now requires atom_style dpd due to a recent change.
...
Includes updates to the documentation and dpd-shardlow
and dpdp-shardlow input files in examples/USER/dpd/*
2016-06-16 16:13:31 -04:00
35777976fb
fix permissions of USER-DPD input examples
2016-06-10 05:54:43 -04:00
4c611fb1d0
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-06-08 06:29:08 -04:00
ab7e896a76
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:18:53 +00:00
0129ff9696
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15149 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:17:05 +00:00
b5abf9342b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15148 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:16:44 +00:00
f3d5260813
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15145 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:00:54 +00:00
a5fef35ebd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15144 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:00:49 +00:00
b107958e80
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15143 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 17:57:47 +00:00
9c5655db7c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 15:51:43 +00:00
02aa4478dc
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-06-02 06:13:45 -04:00
5c19a0d788
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-01 15:07:48 +00:00
7b8a96ee8c
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-06-01 06:35:25 -04:00
4c107f450c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15085 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:39:57 +00:00
ac14f5bc36
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15084 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:38:36 +00:00
4610f8e471
set files to ignore in COUPLE tree
2016-05-16 18:41:49 -04:00
3f4c511bca
update COUPLE example library to be portable across MPI libraries
2016-05-16 18:39:18 -04:00
6c80e2cc59
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-13 06:15:59 -04:00
87e06310cb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 16:29:09 +00:00
62b95b6b34
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 16:28:22 +00:00
9efcf1359e
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-12 06:13:49 -04:00
b0eea89503
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15034 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-11 20:38:08 +00:00
