09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
aa6c6169a8
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/KOKKOS/nbin_kokkos.h
# src/KOKKOS/nbin_ssa_kokkos.h
# src/MOLECULE/bond_fene_expand.h
# src/USER-DPD/nbin_ssa.h
# src/USER-DPD/nstencil_half_bin_2d_ssa.h
# src/USER-DPD/nstencil_half_bin_3d_ssa.h
# src/USER-INTEL/nbin_intel.h
# src/USER-MISC/fix_propel_self.cpp
# src/USER-OMP/npair_full_multi_old_omp.h
# src/USER-OMP/npair_half_multi_old_newton_omp.h
# src/USER-OMP/npair_half_size_multi_newtoff_omp.h
# src/USER-OMP/npair_halffull_newtoff_omp.h
# src/USER-OMP/npair_halffull_newton_omp.h
# src/USER-OMP/npair_skip_omp.h
# src/main.cpp
# src/nbin_standard.h
# src/npair_full_multi_old.h
# src/npair_halffull_newtoff.h
# src/npair_halffull_newton.h
# src/npair_skip.h
# src/npair_skip_respa.h
# src/npair_skip_size.h
# src/npair_skip_size_off2on.h
# src/npair_skip_size_off2on_oneside.h
# src/nstencil_full_bin_2d.h
# src/nstencil_full_bin_3d.h
# src/nstencil_full_ghost_bin_2d.h
# src/nstencil_full_ghost_bin_3d.h
# src/nstencil_full_multi_2d.h
# src/nstencil_full_multi_3d.h
# src/nstencil_full_multi_old_2d.h
# src/nstencil_full_multi_old_3d.h
# src/nstencil_half_bin_2d_newtoff.cpp
# src/nstencil_half_bin_3d_newtoff.cpp
# src/nstencil_half_bin_3d_newton_tri.h
# src/nstencil_half_ghost_bin_2d_newtoff.cpp
# src/nstencil_half_ghost_bin_2d_newtoff.h
# src/nstencil_half_ghost_bin_3d_newtoff.cpp
# src/nstencil_half_ghost_bin_3d_newtoff.h
# src/nstencil_half_multi_2d.h
# src/nstencil_half_multi_2d_newtoff.h
# src/nstencil_half_multi_2d_newton_tri.h
# src/nstencil_half_multi_2d_tri.h
# src/nstencil_half_multi_3d_newtoff.h
# src/nstencil_half_multi_3d_newton_tri.h
2021-05-14 15:24:02 -04:00
92c5951d6c
Update to latest changes from upstream
2021-05-11 17:49:03 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
b88cdd6890
Corrected implementation of ellipsoidal dynamics, made ashared base class for the time-integrators, templated the time-integrators (and so reversed changes that this PR had previously made to random_mars src files), combined docs of all three integrators.
2021-04-30 16:30:04 +01:00
678302bfcb
avoid a floating point exception in RanMars::rayleigh() from taking log(0)
2021-04-02 22:08:39 -04:00
ca5c921702
added brownian dynamics integrator fix bd/sphere.
2020-12-03 13:00:21 +00:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
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
2fcd7b79ab
make certain that internal data in RanMars is initialized to avoid false positive with valgrind
2020-08-09 15:12:10 -04:00
383bb7f905
added restart capability to RanMars
2020-08-09 14:56:00 -04:00
897ae681d3
remove dead code
2020-08-09 14:55:35 -04:00
ffaa77af6b
reintroduce bugfix for bessel function distributed random numbers
2020-05-19 09:02:17 -04:00
89f119e8aa
avoid segfaults when selecting a subset on MPI ranks that will not have any matching lattice positions to start with
2020-04-30 22:12:07 -04:00
82aab36898
reset array size since we don't use the last element anymore
2020-01-31 09:59:35 -05:00
2069c7a5fd
correct incorrect bugfix
2020-01-31 09:58:04 -05:00
31c4833707
correct out-of-bounds array access in RanMars::select_subset()
2020-01-31 09:51:23 -05:00
646dc83394
remove trailing whitespace
2020-01-21 15:46:28 -05:00
90ff2eb6c9
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
2020-01-21 13:31:47 -07:00
ceeae57172
enhanced stochastic wall example
2020-01-14 13:20:35 -07:00
0a84106b23
fix whitespace issues
2020-01-13 22:47:06 -05:00
aa70f8cc6b
small edits for reformatting
2020-01-13 14:26:22 -07:00
87d838d80b
reformat modified core LAMMPS code
2019-09-24 14:52:09 -04:00
12ffa868b3
strip CR characters from source files
2019-09-24 12:08:16 -04:00
10684973f8
Add files via upload
2019-09-17 21:38:10 +02:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
45f2e86dd6
NULLed ptrs in files
2016-11-07 16:07:37 +01:00
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
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
5b5798769f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10215 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-03 15:50:00 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
f823c6e4fc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7247 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-01 00:19:01 +00:00
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
4fdb3616b0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@998 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-10-09 23:46:58 +00:00
c05fb768f3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@469 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-04-10 14:32:40 +00:00
209f169cbc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-01-30 00:22:05 +00:00
222c95507e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2006-09-27 19:51:33 +00:00
