bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
385220fd4b
format changes
2021-09-17 22:50:15 -04:00
7046b75861
remove evil tabs
2021-08-19 10:06:34 -04:00
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
6b45f9052f
small fixed and error checking
2021-05-12 08:55:00 -04:00
9ef0395313
whitespace fixes
2021-05-12 06:30:52 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
bd6dd658d6
Updating to master, misc style changes
2021-04-07 17:21:16 -06:00
de1205c5a9
Fixing misc valgrind issues, particularly with resizing ncollections
2021-02-07 20:38:24 -07:00
c4ef85ba22
Updating to master
2021-02-05 17:01:32 -07:00
56841ba912
Fixing typo in pair gran, fixing bugs in communication and neighbor
2021-02-02 18:05:19 -07:00
e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
...
this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
d79a2c3a02
Adding collection array, new user arguments, and multi communication
2021-02-02 09:39:13 -07:00
a25c77e512
Misc comments, typos, and cleanups
2021-01-12 23:04:14 -07:00
2458eaf4f9
Adding custom grouping option
2020-12-26 11:03:29 -07:00
bce37abe8f
Clarifying variable names
2020-12-20 15:15:19 -07:00
1c52ff15c3
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
c1e3bc5794
Updating to master
2020-12-19 15:28:02 -07:00
6308248a44
Replacing binsizex with multi2 version
2020-11-30 20:55:04 -07:00
cea20da5be
Simplifying stencils
2020-11-29 16:07:20 -07:00
73a6bb3621
Fixing mistake with stencil cutoffs not being squ squared
2020-11-26 15:58:05 -07:00
00a74558ff
Fixing typos
2020-11-22 20:01:14 -07:00
af11a54a27
Copying more variables to classes and moving/clarifying definitions
2020-11-12 18:37:53 -07:00
ac527f4615
Fixing bugs in nstencil
2020-11-11 15:39:53 -07:00
f94c82910d
Fixing remaining bugs to compile
2020-11-11 10:11:49 -07:00
9a3ece75f2
Batch 1 of typo/bug fixes
2020-11-10 23:30:58 -07:00
bdc21c87b2
Clarifying multi2 stencil label
2020-11-10 20:15:54 -07:00
dd1cce1da5
Finish stencil classes
2020-11-10 20:03:00 -07:00
943a187be7
Renamed to multi2, initial stencil edits
2020-11-10 16:39:56 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -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
994fd2af0e
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
2018-05-09 23:46:09 -04:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
9a299875da
simplified neighbor list copying to avoid possible same-timestep re-build issues
2017-01-19 17:01:15 -07:00
40f85c93ba
corrected mismatched free() vs. delete[]
2016-09-09 14:10:42 -04:00
c9c2ae6c61
new neighbor list changes
2016-09-07 13:42:58 -06:00
