09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
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# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
22e93468d6
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
f92e07185b
initialize arrays for per-level gridcomm buffers to NULL
2021-02-09 13:21:04 -05:00
56ae498814
reduce memory leakage in kspace style msm
2021-02-08 17:27:54 -05:00
e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
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this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
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Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
3dd3c6a2a5
redo fix for class member shadowing while avoiding overflowing levels
2020-09-15 14:48:55 -04:00
16749566f8
Revert "fix issue with local variable shadowing a global variable"
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This reverts commit 3368eb79d8
2020-09-15 14:42:00 -04:00
326d9f398c
Merge branch 'master' into iss2345
2020-09-15 14:06:16 -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
3368eb79d8
fix issue with local variable shadowing a global variable
2020-09-12 11:10:12 -04:00
d7500c3e5a
MSM output format tweaks
2020-09-12 11:09:33 -04:00
55704368d0
include updates for commonly used packages
2020-09-03 01:45:05 -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
729b3d2717
major whitespace cleanup
2020-08-19 18:46:35 -04:00
6f37da4eb2
Whitespace cleanup
2020-08-19 14:10:35 -06:00
bd7917919b
update list of pointer variables to be initialized to NULL in the msm constructor
2020-08-13 09:34:02 -04:00
3a1b88c57f
enable MSM to work withe new GridComm class
2020-08-12 17:41:31 -06:00
cfaa3be898
reduce screen output precision
2020-07-04 08:26:00 -04:00
8d5a9ad4af
implement alternate version of MSM leak fix
2020-06-22 19:28:24 -04:00
afe6484c44
Revert "reorganize memory (de-)allocation and fix substantial memory leak in MSM"
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This reverts commit f78671c1a4
2020-06-22 19:15:28 -04:00
f78671c1a4
reorganize memory (de-)allocation and fix substantial memory leak in MSM
2020-06-18 23:43:16 -04:00
bfe42e3fbe
make sure delete gc[n] is safe
2020-06-18 12:40:08 -04:00
6e1f18961c
Convert characters to UTF-8
2020-03-23 09:42:46 -04:00
b29ffabe56
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
61ed3b65b7
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
985fc86aa3
use ev_init for kspace
2019-03-13 17:55:30 +01:00
b34dac41c2
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
2f52eee6bf
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
9090fd0255
propagate the kspace change to a the first few kspace styles
2018-10-18 16:31:17 -04:00
4b2629d8ba
recompile/recompute/reinit -> re-compile/re-compute/re-init
2018-08-22 22:18:16 -04:00
5670dc5e6e
replace variable length array in msm with new/delete
2018-05-04 18:09:25 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a5c6104d64
Initialize pointers in KSPACE
2016-11-07 16:54:59 +01:00
876b033ea8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:33:07 +00:00
0939eb1ee9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:30:45 +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
8a10c55a3b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 19:39:28 +00:00
4e8c2824e3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-19 23:38:45 +00:00
1eb5be1591
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 22:14:11 +00:00
21ac09ad9c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:17:02 +00:00
f350cc4ec7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-20 21:17:46 +00:00
166a9c5bc7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-07 23:03:23 +00:00
b74fcc80ac
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-25 16:49:25 +00:00
4ea728dc80
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-25 16:01:17 +00:00
c1e12f9508
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-08 17:55:44 +00:00
