30100d33c6
get rid of tabs and trailing whitespace
2020-06-15 17:37:45 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
ccc8f29d60
added support for USER-AWPMD package
2019-12-18 12:04:37 -07:00
db6d272303
more additions to USER atom styles and bug fixes
2019-12-13 13:54:12 -07:00
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
d684b70555
reduce compiler warnings in USER-AWPMD
2019-10-18 15:57:07 +02:00
a1f0c0079d
some cleanup for missed steps in previous change sets
2019-07-12 16:37:01 -04:00
2ca2d053fd
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
054ff97a51
replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes
2019-07-10 00:27:31 -04:00
93748a18ae
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cbdc5dba13
fix bug in atom style wavepacket
2019-07-08 18:09:41 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
...
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
15e1b39531
validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi()
2019-07-07 15:52:21 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
991ca25dd7
consistent formatting: adjust cases of "dangling else", add curly braces
2018-12-29 14:47:50 -05:00
a7a83b118d
update dependencies for USER-CGSDK package. make script permissions consistent
2018-05-09 16:13:54 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
51fc386e72
correct the inner loop range for resetting cutoffs when redefining a pair style
...
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
2017-05-16 00:26:18 -04:00
d6357420ae
propagate global package installation bugfix to explicit package scripts
2017-04-07 15:29:56 -04:00
7dd60f9737
Fix typos in src files
2017-03-05 21:03:40 -05:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
236241b100
sync with Git
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-27 23:09:15 +00:00
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
cee848f948
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 22:06:49 +00:00
6295fc6908
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-16 22:30:07 +00:00
4a975dd8cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +00:00
fa76884b09
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12897 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-08 18:16:47 +00:00
7518fae9bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
01820feacd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12075 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-04 22:30:13 +00:00
1f667449d1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12069 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-04 20:52:04 +00:00
4c9bba90f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 16:15:31 +00:00
bad19033d0
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2014-01-17 18:43:09 +00:00
a1ef01fc1a
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2014-01-14 16:17:20 +00:00
ec6c602730
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11027 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-20 17:21:27 +00:00
5ec8a7c930
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2013-11-20 15:36:26 +00:00
856f78e50a
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2013-07-25 17:47:47 +00:00
f37ae6cb74
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:06:37 +00:00
8d699db7a8
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2013-06-27 21:41:33 +00:00
2dbe3f80a2
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2013-06-27 20:02:55 +00:00
a5da3aa1ce
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2013-05-31 15:17:46 +00:00
97ff0b349c
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2013-05-30 16:42:54 +00:00
07071dccd9
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2013-05-08 15:59:33 +00:00
da77d5e62a
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2013-04-03 16:52:29 +00:00
ce7dede594
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2013-02-08 16:44:04 +00:00
0c6b84987c
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2013-01-31 16:31:03 +00:00
47552d4033
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2012-07-25 15:16:20 +00:00
6795f0f3af
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2012-06-29 17:16:11 +00:00
