db510af582
more fixes for potential buffer overflows by using snprintf() instead of sprintf()
2018-09-06 11:32:44 -04:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
4d52cb9245
more buffer overflow avoiding through using snprintf()
2018-09-06 09:57:43 -04:00
fbc1c1cfdd
replace fixed buffer sprintf() with straight fprintf()
2018-09-06 09:57:10 -04:00
ca04e8f31c
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
2018-09-06 02:57:53 -04:00
ba1c5d3191
Avoid buffer overflow during errors with long filenames
2018-09-05 21:39:09 -04:00
95c3d2fc8e
Merge pull request #1051 from stanmoore1/data_dup
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Add data duplication option to the KOKKOS package
2018-09-05 17:09:09 -06:00
510e09f4ef
patch 5Sep18
2018-09-05 13:39:18 -04:00
5003354fba
Replaced a tab with whitespace.
2018-09-05 11:42:48 -04:00
84de0d38ea
Replaced files with those from upstream.
2018-09-05 11:34:07 -04:00
c192236a7e
Commit before switching to old master.
2018-09-05 11:28:06 -04:00
779f1bd0b1
Fixes a bug in pair_morse_smooth_linear where the cutoff was not properly initialized.
2018-09-05 11:27:10 -04:00
0c92c22755
moved contents of USER-MOP package to USER-MISC as suggested by @sjplimp
2018-09-05 10:56:12 -04:00
4a5e28af81
Avoid unnecessary sorting in print_columns
...
std::map is a sorted associative container. We don't need to
first copy it into a vector and sort that one.
print_columns has been refactored as a template function and
makes use of this property.
2018-09-05 10:35:47 -04:00
ae7b18fb77
only one call to extract needed
2018-09-05 00:11:50 -06:00
efd81a2854
Merge branch 'master' into bond/react-efficient-competing_reactions
2018-09-04 22:34:04 -06:00
a5f7b418de
bond/react: efficient competing reactions
2018-09-04 22:06:49 -06:00
ff2e13e063
Merge branch 'master' into ScaFaCoS
2018-09-04 21:35:46 -04:00
bcecc0389e
add variable option to compute bond/angle/dihedral local
2018-09-04 14:48:44 -06:00
a6dfab6f27
recover some const'ness in Domain class, that was lost when merging MESSAGE package. fixes lib/atc compilation issue
2018-09-04 09:13:22 -04:00
1d3116d7c2
Merge branch 'master' into less-compiler-warnings
2018-09-04 08:59:12 -04:00
cb4ffaf95c
update docs and references for name changes in USER-MOP package, remove obsoleted files
2018-09-04 08:42:32 -04:00
a797a0d193
changed computes names to stress/mop and stress/mop/profile
2018-09-04 14:02:19 +02:00
7b423c6d4b
integrate USER-MOP package into build and documentat system. apply latest LAMMPS programming style conventions
2018-09-03 23:37:25 -04:00
ba4ff7744b
new USER-MOP package submitted
2018-09-03 16:26:36 +02:00
5f0423b97d
change -mpi to -mpicolor
2018-08-31 17:04:27 -06:00
78301e5e93
Merge branch 'master' into cslib
2018-08-31 16:30:28 -06:00
f66ce801ad
final testing
2018-08-31 16:21:45 -06:00
bc62002b1c
units and doc changes
2018-08-31 16:05:24 -06:00
a989d04d09
think this flag should not be set by this fix
2018-08-31 14:17:36 -06:00
c4c5f9a32e
2 new computes: chunk/spread/atom and reduce/chunk
2018-08-31 13:44:49 -06:00
8f5512eafe
patch 31Aug18
2018-08-31 09:49:35 -06:00
3f07adb765
Merge branch 'master' of https://www.github.com/lammps/lammps into port-enforce2d-kokkos
2018-08-30 11:53:05 -04:00
054abe280e
squash some more compiler warnings
2018-08-29 14:55:36 -04:00
447a6c3373
Merge pull request #1085 from akohlmey/silence-user-cgsdk-warnings
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Silence USER-CGSD warnings
2018-08-29 07:50:11 -06:00
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
ed61ed5b56
Merge pull request #1082 from jrgissing/bond/react-competing-reactions
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Bond/react: treatment of simultaneous competing reactions
2018-08-29 07:49:25 -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
83d453e78b
updates to MD protocol and examples
2018-08-28 17:08:52 -06:00
03654b2b7f
rename define to better fit LAMMPS' logic
2018-08-28 15:19:07 -04:00
eb850c5326
silence compiler warning about unused static function in shared include file
2018-08-28 15:17:31 -04:00
a404da02d5
Use LMP_UNUSED_PARAM macro instead of existing workarounds
2018-08-27 22:36:38 -04:00
71bc72ec13
formatting: add additional space to avoid bad syntax highlights
2018-08-27 22:13:43 -04:00
02f131c544
Fix USER-OMP compilation with CMake
2018-08-27 22:11:15 -04:00
a103bd4de2
Correct compilation error introduced by #1077
2018-08-27 21:25:48 -04:00
41fff2979e
Merge pull request #1077 from dschwen/warnings_1076
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Fix compile warnings when building with pedantic flags
2018-08-27 17:14:34 -06:00
31ed3f7178
more changes to insure each triplet IJK computed exactly once
2018-08-27 17:09:59 -06:00
b05aa62c49
correctly exclude atoms from simultaneous competing reactions
2018-08-25 15:46:48 -06:00
c477129165
real <-> metal unit conversion factors
2018-08-24 16:17:07 -06:00
38a998c03c
Fix misc. warnings ( #1076 )
2018-08-24 14:58:28 -06:00
