0876684780
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
5ce536f2e9
Update constant names
2020-11-16 11:03:18 -05:00
dd23db9369
standardize flags for energy/virial computations in forces
2020-11-16 08:13:33 -07:00
7500d902da
Shorten constant names and move to force.h
2020-11-13 17:15:40 -05:00
f24320d26a
Introduce enums for energy and virial flags
2020-11-11 22:09:03 -05:00
0e8e93b2a0
Add space for readability
2020-11-02 10:59:33 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
0067a5b0fe
add support for pressatomflag=2 to compute.h and vflag=8 to integrate.cpp and min.cpp to indicate centroid atomic stress computation
2019-10-04 17:34:15 +09:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
86fc7d455c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-22 00:17:14 +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
f981460023
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12331 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-15 15:29:35 +00:00
60d099f48b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9910 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-24 15:57:25 +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
e4974ae9af
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-12 22:32:17 +00:00
3450c008aa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-28 17:29:18 +00:00
52568d2738
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-28 17:19:20 +00:00
c6bbdcfbf2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-24 20:28:02 +00:00
d51c47d9ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-02-22 22:09:18 +00:00
82ec94916d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-11 00:41:00 +00:00
8dbbd76a56
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4425 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-03 18:42:04 +00:00
c01b4e016c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-21 19:05:42 +00:00
0fb2adb73c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-14 21:27:33 +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
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
8fb52958ce
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-11-30 21:54:30 +00:00
6de4e59a38
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1119 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-11-02 20:25:11 +00:00
