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315c829bd2
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tweak box output format to include decimal point
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2020-07-13 15:59:47 -04:00 |
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da66516dec
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use references when creating styles
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2020-07-13 09:40:58 -04:00 |
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7488f22981
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reduce excess precision in some output data
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2020-06-30 10:11:52 -04:00 |
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f547d66104
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Merge branch 'master' into more-fmtlib-and-string
# Conflicts:
# src/write_restart.cpp
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2020-06-05 11:13:44 -04:00 |
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b27ef02bc2
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no local buffers and snprintf() in a bunch of style creation functions
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2020-06-04 14:36:56 -04:00 |
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481d3cb219
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avoid using a local buffer and snprintf()
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2020-06-04 11:21:25 -04:00 |
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00fd82016c
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simplify Domain::print_box()
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2020-06-03 22:52:49 -04:00 |
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dd11fb3964
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remove .c_str() and simplify output in several places
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2020-06-03 16:37:30 -04:00 |
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73ec2d8182
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fix typo in MPI_Allreduce call.
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2020-04-27 11:06:17 -04:00 |
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644f74c585
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when changing boundaries from periodic to non-periodic, we need to reset the image flags for these dimensions to 0
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2020-04-27 10:39:34 -04:00 |
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5f68f3006f
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replace Fix::box_change_xxx variables with Fix::box_change bitmask and add check to Domain::init()
This allows a more specific tracking of whether multiple fixes are
modifying the same box parameter and error out in that case.
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2020-02-08 15:12:26 -05:00 |
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ac82f78667
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do not reset box (i.e. apply shrink-wrapping) for systems without atoms
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2019-10-08 02:40:08 -04:00 |
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7967cb1133
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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31cbccda85
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continue cleaning up include file lists
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2019-06-29 09:37:44 -04:00 |
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f190647ab4
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use snprintf() instead of sprintf() to avoid buffer overflows when copying style names
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2019-06-21 21:23:20 -04:00 |
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daac3f7102
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Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
Improved error messages when a style is not found
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2019-05-30 06:34:56 -04:00 |
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bac8b267df
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make sure fix deform related variables are always initialized to avoid issues with the DomainOMP class.
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2019-05-05 10:26:27 -04:00 |
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d640c712f8
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apply new utility function to most places creating new styles
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2019-04-07 21:18:20 -04:00 |
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b685a0a7b8
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need to use fabs() when computing deltas when checking image flags for consistency
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2019-03-27 15:47:14 -04:00 |
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8cd70f7d78
|
fix triclinic rounding bug for lib interface as well
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2018-10-19 15:27:38 -06:00 |
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a6dfab6f27
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recover some const'ness in Domain class, that was lost when merging MESSAGE package. fixes lib/atc compilation issue
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2018-09-04 09:13:22 -04:00 |
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78301e5e93
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Merge branch 'master' into cslib
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2018-08-31 16:30:28 -06:00 |
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e9bc939098
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Fix more unused parameter warnings (#1076)
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2018-08-23 12:22:44 -06:00 |
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b08a2fcd3b
|
mended un-done changes from Git master
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2018-07-24 11:36:12 -06:00 |
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2f55981224
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new MESSAGE package for client/server/coupling
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2018-07-23 15:58:33 -06:00 |
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71e1867dd2
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move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
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2018-05-10 00:50:20 -04:00 |
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3682bc47c2
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move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h
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2018-05-10 00:20:10 -04:00 |
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d8138a5b4c
|
move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it
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2018-05-09 18:11:31 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
|
replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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534b7adde4
|
Bugfix for checking image flags
|
2017-10-09 21:29:07 +09:00 |
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d437650c77
|
make certain Domain::box_change is initialized before use
|
2017-06-06 08:08:10 -04:00 |
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f57f1efdff
|
Setting lattice to NULL before creating
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2017-05-31 00:34:26 -07:00 |
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addd87c0f7
|
new Section package and start doc pages and build scripts
|
2017-05-04 11:22:20 -06:00 |
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3a054d1a82
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
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effbe18c46
|
fix domain boundary indexing
the compiler pointed out that
boundary[2][2] doesn't exist.
If I understand this correctly,
those checks should be against
boundary[*][0].
|
2017-01-25 15:24:01 -07:00 |
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5cd856c97f
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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ebbf60b112
|
Merge pull request #319 from andeplane/domain_bug
Fixed bug in lamda_box_corners function
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2017-01-06 10:03:32 -07:00 |
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467377094a
|
Merge pull request #314 from stanmoore1/fix-momentum-kokkos
Fix momentum kokkos
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2017-01-06 10:01:17 -07:00 |
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f6a819580c
|
pair TIP4P bug fix for cutoffs >> box size
|
2017-01-06 09:57:27 -07:00 |
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37d5567f6d
|
Fixed bug in lamda_box_corners function
|
2017-01-03 11:54:14 +01:00 |
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ca30c1ec88
|
got fix_momentum_kokkos to compile
there are likely still some compile
errors for Kokkos+CUDA...
|
2016-12-19 13:08:09 -07:00 |
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ae5764beac
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
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d9891abdf4
|
new library functions
|
2016-10-27 09:34:04 -06:00 |
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b190abea39
|
sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-09-08 20:20:32 +00:00 |
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a33753ae6f
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-09 20:57:00 +00:00 |
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8e36364f5c
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-07 21:04:44 +00:00 |
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36776f425b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-03-21 16:01:21 +00:00 |
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7642bc1775
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14697 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-03-01 18:41:30 +00:00 |
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