59c0325f08
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
d169f6c169
USER-BOCS and other compute pressures
2021-01-21 17:27:45 -07:00
182eb35f1a
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
2ffa50f2f8
fix memory leak
2020-09-25 18:13:52 -04:00
429cc0cacf
add missing updates for symbolic constants in Atom class
2020-09-16 23:19:10 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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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
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
edf64ed16c
Merge pull request #1511 from jdevemy/master
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Add keyword hybrid/pair for compute_pressure
2019-07-29 22:15:20 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
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# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
9984cbc99a
Recheck existence of pair style in init
2019-07-02 16:13:20 +02:00
0761c4dbb9
Name change hybridpair->pair/hybrid
2019-07-02 10:47:36 +02:00
968335d4fd
Remove useless things
2019-07-02 10:34:10 +02:00
7547e1dae6
make certain that the vector storage and the size_vector variable are consistent in computes
2019-07-01 17:25:02 -04:00
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
6a6d08e18e
Better compute_pressure hybrid and doc
2019-06-25 12:01:29 +02:00
7fab12c36f
Add keyword hybridpair for compute_pressure only on a certain pair of a hybrid pair
2019-06-14 16:53:26 +02:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
66130f5557
whether virial contributions from fixes are included depend on thermo_virial, not virial_flag.
2017-09-17 20:50:22 -04:00
2993aec312
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +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
8d99bf4779
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13447 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-30 14:31:11 +00:00
84a5ec39ec
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
d54bd651a3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-19 19:00:18 +00:00
92d0ee3c32
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-10 20:44:43 +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
7a22c79244
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-14 20:14:03 +00:00
4f48544d41
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-16 21:15:49 +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
1dbad849b7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3674 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-13 20:55:06 +00:00
8b6877e6d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3512 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-09 21:12:49 +00:00
9403678ff0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3099 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-18 17:59:01 +00:00
33ff40dd7e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3074 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-14 20:54:10 +00:00
6346e48601
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2967 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-07-02 20:53:24 +00:00
746690d402
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2958 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-07-02 18:01:55 +00:00
c318361d2f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-07-01 20:28:37 +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
eb8c707f99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2623 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-05 20:55:21 +00:00
cb90e03944
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2622 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-05 20:49:19 +00:00
9aea086fce
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-03 17:09:49 +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
6ba8c45983
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-10 17:49:50 +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
0890a06926
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1198 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-11-30 23:37:16 +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
bf7903653b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-11-30 15:26:11 +00:00
