b508229bd2
adapt to LAMMPS programming style
2025-01-11 18:05:16 -05:00
f633b03602
ensure atom map is reset by fix pour and fix deposit
2024-07-01 09:33:20 -06:00
11ef510a93
Merge branch 'lammps:develop' into improve_type_label_support
2024-06-13 19:26:42 -04:00
f815ded1b8
add a few more intensive vs. externsive settings
2024-04-22 22:04:42 -04:00
b3e03d5188
refactor expand_types to return int
2024-04-17 18:56:28 -04:00
a1826b1364
fix_deposit: direct type label support
2024-04-17 00:16:00 -04:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
17640f54d2
reset warnflag for each run
2023-11-04 17:53:19 -04:00
f3a7ec8c55
copy/paste issues
2023-10-29 16:19:11 -04:00
549ea506d4
add var keyword to fix_deposit
...
borrowed from create_atoms
2023-10-29 15:46:55 -04:00
902c43e8c6
formatting
2023-10-28 13:45:55 -04:00
c5463e13f1
output ninserted for fixes: deposit+pour
2023-10-28 13:22:10 -04:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
f592e3184e
simplify Molecule::check_attributes()
2022-08-13 16:56:53 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
7c5640c1c9
we may call ->set_molecule() only in MOLECULE mode
2021-11-05 16:27:58 -04:00
4395530756
bugfix
2021-10-28 23:38:32 -04:00
ac4f2b2a32
use updated APIs
2021-10-28 23:25:04 -04:00
9a60ab0c23
correctly insert atoms/molecules any nfreq timesteps even with multiple run
...
this changes the computation of "next_reneighbor" so that it is based
on "nfirst" which is set during the constructor of the class.
This still maintains the property that the first deposit attempt is not
done during setup, but on the next step.
2021-08-04 21:32:10 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
5d17e2fec6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-07 21:00:36 +00:00
7292ac7402
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11154 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-07 20:53:12 +00:00
4f40cb9dec
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11149 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-07 16:22:29 +00:00
bbc2a764c3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11141 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-07 00:13:44 +00:00
1d7317df5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-12-19 17:57:48 +00:00
292f517a15
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-12-18 18:25:45 +00:00
dd81c37501
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-12-18 18:21:12 +00:00
a9f063d9d9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11114 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-12-17 00:21:39 +00:00
aff25bf586
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10550 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-06 17:33:37 +00:00
87b941f250
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10366 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-25 22:26:18 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +00:00
db8eda0253
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-24 18:55:24 +00:00
1eb48e25a6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9795 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-23 22:53:30 +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
f884a7ec85
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-01 16:27:41 +00:00
a10a777640
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-06 17:49:42 +00:00
d733ea3398
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7403 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-04 23:23:41 +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
140cdf9485
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5504 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-07 21:42:19 +00:00
b015f75194
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4745 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-08 23:41:16 +00:00
5ff00cfd0f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4505 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-19 16:01:08 +00:00
202fe18b18
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3652 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-11 22:22:03 +00:00
d9310d7e56
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3645 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-11 21:15:28 +00:00
e3c029753d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-08 22:54:13 +00:00
edfea8bc0f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3259 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-10-30 18:14:19 +00:00
08577f42a7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-07-21 15:00:56 +00:00
ffa3b8c1ee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2689 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-19 14:54:04 +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
8dceec24a4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2229 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-11-07 15:47:56 +00:00
