cac6b5dc02
bugfix for gpu and simplify by replacing functor with operator()
2024-08-06 00:43:07 -04:00
c2e192e734
call the plumber to fix some leaks
2024-08-04 17:33:11 -04:00
2ef1e9936f
partial bugfix (kokkos_omp test passes, fix_modify test virial yes still crashes)
2024-08-02 11:59:57 -04:00
e0967af6e8
move fix wall style enumerator to header and import from there for consistency
2024-01-19 12:58:48 -05:00
ea744ac8f9
fix typos
2023-10-25 11:17:24 -06:00
a3ff40ccf0
fixes to avoid uninitialized or out-of-bounds memory accesses
2023-02-22 23:29:46 -05:00
b12facbd54
add fix wall/table
2023-02-22 19:06:07 -05:00
94ac3895f9
enable and apply clang-format, improve error messages.
2023-02-22 19:06:07 -05:00
1411d48d9e
prepare fix wall argument parser to support wall/lepton and wall/table
2023-02-22 19:06:06 -05:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
3a73dd831a
fix bug when reporting fix wall energies
2021-06-05 16:16:57 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
183b30abd7
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
33939a0e26
Merge branch 'master' into thermo-energy
...
# Conflicts:
# doc/src/fix_ti_spring.rst
# src/RIGID/fix_rigid_small.cpp
# src/fix_langevin.cpp
# src/fix_temp_berendsen.cpp
# src/fix_temp_csld.cpp
# src/fix_temp_csvr.cpp
# src/fix_temp_rescale.cpp
# src/thermo.cpp
2021-02-08 15:24:29 -05:00
cf427bcad8
apply utils::strdup() in a few more cases
2021-02-04 17:52:32 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
bca3164fc4
fix whitespace issues
2021-01-26 18:39:02 -05:00
2c1b6adce3
change virial_atom to virial_peratom
2021-01-21 12:00:16 -07:00
182eb35f1a
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -07:00
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
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
6a584672e8
implement fix wall/morse based on fix wall/region and fix wall/harmonic
2019-08-21 16:00:14 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
e196a2b9e5
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
3820c5881d
Adding fix_wall_lj93_kokkos
2017-03-02 14:02:49 -07:00
958e3e6a80
sync with Git
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 23:49:20 +00:00
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
f7bc08d83d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-15 21:29:44 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +00:00
db8eda0253
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-24 18:55:24 +00:00
6ce35d3003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9530 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-19 15:01:59 +00:00
c799bb03d5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9333 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-25 22:21:24 +00:00
2d6d2de507
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9299 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-18 20:39:12 +00:00
7866cd6a29
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9295 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-18 16:53:13 +00:00
f75a81d1ea
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8927 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-09 16:02:05 +00:00
9266997555
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8925 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-09 15:51:01 +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
17be5191be
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8216 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-01 23:29:31 +00:00
