06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
34d4209197
Merge pull request #1331 from akohlmey/collected-small-changes
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Collected small changes
2019-02-13 16:47:27 +01:00
eaf2ca9c84
Merge pull request #1272 from lammps/utility-functions
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Add library of utility functions to make LAMMPS code simpler and more consistent.
This is the first part of multiple pull requests that will add some more of these functions and will apply them to more of LAMMPS.
2019-02-13 16:30:46 +01:00
38b003261d
silence compiler warnings about unused parameters in USER-OMP package
2019-02-13 07:42:24 -05:00
d7c2ecadad
add support for using utils::sfgets() to pair style airebo and check whether sscanf() was parsing numbers correctly
2019-02-05 17:05:49 +01:00
0eef5ebaa3
add support for using utils::sfgets() to pair style adp
2019-02-05 17:04:54 +01:00
b417cfda9b
removed dead code and reduce compiler warnings about unused parameters
2019-02-03 11:36:41 -05:00
bb36e6e3c8
implement some examples for using the utils::strmatch() function and use it for inexact Force::pair_match()
2019-02-01 12:23:06 +01:00
1991ff6c48
consistent formatting: replace "if( XXX)" with "if (XXX)"
2018-12-29 17:08:12 -05:00
f25bfd5931
consistent formatting: replace "if( XXX )" with "if (XXX)"
2018-12-29 17:04:28 -05:00
1c795a6be3
remove trailing blanks
2018-12-01 21:38:22 -05:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
40e7ea83a3
Merge pull request #1084 from rbberger/cmake-and-warning-suppression-bugs
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Fixes various compilation issues
2018-08-29 07:49:52 -06:00
c61f9248f4
Merge pull request #987 from sergeylishchuk/master
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Added Axilrod-Teller manybody potential
2018-08-29 07:48:22 -06:00
71bc72ec13
formatting: add additional space to avoid bad syntax highlights
2018-08-27 22:13:43 -04:00
31ed3f7178
more changes to insure each triplet IJK computed exactly once
2018-08-27 17:09:59 -06:00
c01fb5f701
new loop structure in pair ATM
2018-08-24 14:33:06 -06:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
44bda245a6
resolution of cutoff issues
2018-08-24 09:36:39 -06:00
59d3af44f2
use c++ style system headers
2018-08-23 10:27:51 -04:00
937d4707dc
proposed SJP changes for 2nd cutoff_triple
2018-08-20 15:03:21 -06:00
4d75d2d611
more changes to ATM source and doc file
2018-08-06 20:49:05 +01:00
d598e7c60e
rename preprocessor guard to prevent multiple inclusion to be consistent with file name
2018-08-01 15:54:46 +02:00
c6186bf00d
whitespace and formatting update
2018-07-31 17:36:49 +02:00
e9d40d3c6d
rename class from PairCDEAM to PairEAMCD
2018-07-31 17:16:18 +02:00
67e70316de
rename pair_cdeam.* to pair_eam_cd.*
2018-07-31 16:58:44 +02:00
f3615e83e8
move pair style eam/cd from USER-MISC to MANYBODY and update docs accordingly
2018-07-31 09:18:37 +02:00
649d0167c8
sorted out restart
2018-07-27 10:41:01 +01:00
a2303e5a15
more changes to ATM source and doc file
2018-07-26 11:54:04 +01:00
d4385ade15
more changes to ATM source and doc file
2018-07-16 11:22:22 -06:00
eeaf907227
Resolved merge conflict.
2018-07-13 21:36:40 +01:00
b461967e91
Updated documentation and source
2018-07-13 20:45:06 +01:00
bf5fbc92df
Updated documentation and source
2018-07-13 20:18:53 +01:00
3a824b3a4b
mods to Sergey's files
2018-07-09 14:16:46 -06:00
7260bb58e1
Added Axilrod-Teller manybody potential
2018-07-04 11:03:30 +01:00
d53dc541d8
avoiding variable length array in pair style comb3 by declaring MAXLIB const
2018-05-04 21:48:44 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5221ac2d55
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
9f785a4f0b
detect and error out on unsupported/old bop potential files
2018-03-21 19:40:25 -04:00
e9ac8ba01e
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
94a923191a
more whitespace cleanup
2018-03-15 22:02:02 -04:00
070e85b44b
add restartinfo=0 to manbody file it was missing from
2018-03-06 12:45:40 -07:00
17d98d0915
make checking for tersoff parameters consistent across all implementations
2018-01-30 04:53:57 -05:00
72eb2dab52
Add missing math.h header
2018-01-13 20:41:05 +01:00
72e5f537c8
Merge pull request #576 from akohlmey/sanitizer-changes
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Collected changes for issues detected by gcc -fsanitize
2017-07-20 12:03:40 -06:00
992ce79701
add sanity checks to EAM potential file reader subroutine
2017-07-16 14:37:30 -04:00
e5405cdb04
AIREBO: Add doc about OpenKIM issue
2017-07-14 17:57:25 +02:00
8a1db83b73
silence static code analysis warning
2017-07-14 10:31:51 -04:00
