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
bb7447363c
more include cleanup and IWYU tweaks
2020-09-04 07:22:39 -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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
11b069ffe7
use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
2020-04-13 13:38:38 -04:00
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
ed208fa4cf
reduce some more compiler warnings
2019-10-18 16:16:43 +02:00
0f691de031
include file cleanup in some more packages
2019-07-10 01:18:34 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
2cf83d9fca
Updating from master to 19May17
2017-05-25 11:21:10 -06:00
51fc386e72
correct the inner loop range for resetting cutoffs when redefining a pair style
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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
d6f6c6faf1
USER-DPD: Make newton-off warning in pair_dpd_fdt* be more selective.
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If using fix_shardlow, the pair_dpd_fdt* styles are okay with newton off,
because the stocastic forces are thus only done in fix_shardlow.
2017-03-12 16:05:28 -04:00
2db66e49b4
USER-DPD: make pair_dpd_fdt* check more generically for use of fix_shardlow
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Allows easier experimentation of alternative shardlow implementations.
2017-02-22 15:08:17 -05:00
f6cd98636b
USER-DPD: Also apply "check if a0 is zero" optimization to pair_dpd_fdt
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This relates to commit 4eb08a5822
2017-01-18 16:17:11 -05:00
05cafb716f
USER-DPD: cleanup initialization of splitFDT_flag in pair_dpd_fdt.cpp
2017-01-18 15:51:50 -05:00
c4e02a5d2b
USER-DPD: more whitespace fixes
2016-12-20 11:17:11 -05:00
5187cb97e5
USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list,
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instead of having pair_dpd_fdt* make the SSA-neighbor list request for it.
Forces an "extra" list to be built, but now skip lists work properly.
Maybe we can detect if skip lists won't be used, and squash the extra list.
2016-12-09 15:42:27 -06:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
9507a786f0
USER-DPD: whitespace and indentation fixes
2016-10-07 15:59:47 -04:00
e27ed6c94a
USER-DPD: Added support to use VV integrator with USER-DPD if desired.
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Includes documentation and examples.
NOTE: VV requires very small timesteps under isoenergetic conditions.
Consider using fix_shardlow instead, since this VV support is
primarily for comparison purposes.
2016-10-07 15:03:30 -04:00
a329a724b2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 23:31:52 +00:00
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +00:00
e4ea9c0658
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-17 15:56:48 +00:00
b2d417f5d7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14552 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-04 20:39:00 +00:00
de6ff01ba7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14542 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-03 21:33:41 +00:00
