9a19a814e4
apply clang-format to packages
2021-08-23 21:06:33 -04:00
384330aff2
update/correct extract function
2021-08-21 20:31:02 -04:00
1c7bf82930
initialize scale array
2021-08-21 20:30:38 -04:00
4032c6da98
fix restart bug
2021-08-21 20:30:15 -04:00
ad5cc694dc
correctly check for and enable/disable dipole and dispersion support
2021-08-21 15:18:44 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
2e0ed643e4
update and reformat
2021-07-09 16:54:18 -04:00
6571a84884
move some styles around
2021-07-09 16:54:00 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7fcd449864
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
a1665fddc8
next iteration of preparing for clang-format
2021-04-30 13:51:14 -04:00
980244dd0c
add protection comments
2021-04-27 22:31:01 -04:00
df7fe4431f
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
49bc05aa1b
replace use of math_vector.h with math_extra.h in some more pair styles
2021-01-15 17:25:44 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
55704368d0
include updates for commonly used packages
2020-09-03 01:45:05 -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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
e860779fa0
formatting update
2020-08-04 07:17:28 -04:00
357716ec4c
correctly check of mu and torque flags as those data structures are always accessed.
2020-08-04 07:17:12 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
b6374bacfb
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
ccca80a6a5
changes to enable atom_style hybrid to work
2019-12-02 15:39:54 -07:00
6c18e366d7
changes to start to make atom style hybrid work
2019-11-26 18:34:51 -07:00
3736af0aaf
initial refactoring on AtomVec class
2019-11-26 13:42:32 -07:00
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
4fca2f1f1d
fix "implicit fallthrough" warnings
2019-10-14 16:41:12 +02:00
2ca2d053fd
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
054ff97a51
replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes
2019-07-10 00:27:31 -04:00
93748a18ae
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
...
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
b469ff6791
need to include 'force.h' header for conversion functions
2019-07-07 16:06:30 -04:00
15e1b39531
validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi()
2019-07-07 15:52:21 -04:00
316554297c
clean up includes in packages DIPOLE and GRANULAR
2019-07-06 10:00:24 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
a696b26301
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
...
Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
2019-04-19 15:02:25 -06:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
062c1a04fc
Commit JT 081418
...
- initial commit pppm_spin branch
- copied short_range spin files (src/SPIN)
- copied/renamed Stan's file (from pppm_dipole branch)
2018-08-14 14:42:01 -06:00
661848139c
Merge pull request #926 from ndtrung81/gpu-updates
...
some updates to the GPU package
2018-06-13 12:57:01 -06:00
ad5cfb5ae6
Switched member variables from private to protected for lj/cut/dipole/long
2018-05-22 09:55:16 -05:00
5daf1fe0d4
remove deprecated 'register' keyword. closes #922
2018-05-18 17:43:18 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5221ac2d55
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
