|
|
b30ce3ff32
|
next round of IWYU updates
|
2022-12-12 01:07:46 -05:00 |
|
|
|
27a93f12d5
|
simplify and make test more specific
|
2022-10-31 15:00:37 -04:00 |
|
|
|
39a6a27066
|
Replaced "not" with "!" and "and" with "&&" (Windows builds?)
|
2022-10-30 18:25:16 -05:00 |
|
|
|
745f90cb71
|
merged conflicts in thermo.cpp
|
2022-10-30 14:34:43 -05:00 |
|
|
|
248b7383c7
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
|
2022-10-24 15:50:50 -04:00 |
|
|
|
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 |
|
|
|
7c5128881e
|
fix bug in thermo_modify format column check
|
2022-10-14 04:49:08 -04:00 |
|
|
|
d5757a976e
|
Made bug fix for format consistent with colname
|
2022-10-06 21:54:59 -05:00 |
|
|
|
3b292cd50a
|
Fixed bug in thermo_modify and made 2*4 and such work for format fields
|
2022-10-06 18:08:06 -05:00 |
|
|
|
7bba3c516f
|
avoid excess string copy in auto loops
|
2022-09-01 16:02:32 -04:00 |
|
|
|
0b047ba22b
|
improved error messages in fix_addforce,fix_indent,fix_setforce,fix_temp_rescale,fix_wall_reflect and thermo.cpp
|
2022-08-16 20:33:22 +08:00 |
|
|
|
8e6b0425f7
|
apply clang-format
|
2022-05-14 18:01:34 -04:00 |
|
|
|
cfc4dcea3d
|
must quote keyword data to avoid issues parsing the YAML data
|
2022-04-28 07:34:23 -04:00 |
|
|
|
69d9c5187e
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
|
|
ce67cb0ca1
|
first stab at implementing dump_modify colname
|
2022-04-01 07:41:13 -04:00 |
|
|
|
4042a52db1
|
rename header keyword to colname
|
2022-03-31 21:58:35 -04:00 |
|
|
|
e3611c5d73
|
add support for custom keywords with thermo output
|
2022-03-31 17:26:46 -04:00 |
|
|
|
a208f1fc39
|
minor tweak to one style thermo output for keeping columns straight
|
2022-03-23 10:48:15 -04:00 |
|
|
|
4c1a6d7ecf
|
tweak settings for thermo style "one"
|
2022-03-21 14:44:07 -04:00 |
|
|
|
74103b141a
|
enable and apply clang-format
|
2022-03-19 18:03:29 -04:00 |
|
|
|
a4d2062865
|
reduce redundant code with helper functions and simplify by using std::string
|
2022-03-19 18:01:12 -04:00 |
|
|
|
f5ebfbf90b
|
refactor thermo output processing and add new yaml thermo style
|
2022-03-19 16:39:09 -04:00 |
|
|
|
a9eae51d27
|
print name of non-existent compute/fix/variable in error message
|
2022-03-05 14:31:24 -05:00 |
|
|
|
a2ff443838
|
Use utils::flush_buffers() in error.cpp and thermo.cpp
|
2022-02-04 18:00:47 -05:00 |
|
|
|
2e362b1f3f
|
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
|
2021-10-20 06:56:46 -04:00 |
|
|
|
f80259dfae
|
some applications of the new function
|
2021-09-19 19:05:40 -04:00 |
|
|
|
ea34571da1
|
avoid 32-bit integer overflow
|
2021-09-07 01:12:24 -04:00 |
|
|
|
2eff15d1e6
|
move data type enum to header so it can be used in dump netcdf
|
2021-07-18 17:41:14 -04:00 |
|
|
|
b8236c6402
|
improve error messages by printing unrecognized property
|
2021-06-08 11:19:21 -04:00 |
|
|
|
09c19a936b
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
|
|
d8291eea7b
|
Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
|
2021-05-11 21:49:48 -04:00 |
|
|
|
d1941392d3
|
disable clang-format for all existing .cpp files (for now)
|
2021-05-05 23:53:38 -04:00 |
|
|
|
22e93468d6
|
simplify code by appling varargs messages and warnings
|
2021-05-05 18:19:12 -04:00 |
|
|
|
92058b32ea
|
must use Error::message() to print the warning about suppressed warnings
|
2021-05-05 16:55:59 -04:00 |
|
|
|
9f4da1128b
|
remove optional logflag argument from Error::message() and Error::warning()
|
2021-05-05 16:02:51 -04:00 |
|
|
|
6145412bd8
|
fix logic bugs
|
2021-05-05 14:48:33 -04:00 |
|
|
|
f0cc70b29a
|
implement "thermo_modify warn" to control amount of warnings
|
2021-05-03 14:21:16 -04:00 |
|
|
|
e9e0bb71b6
|
Use varargs version of Error:all() and Error::one() where applicable
|
2021-04-25 21:30:51 -04:00 |
|
|
|
42895ac6df
|
Merge pull request #2654 from akohlmey/collected-small-changes
Collected small changes
|
2021-03-16 19:34:54 -04:00 |
|
|
|
cf19197f79
|
revert change causing memory corruption. we need extra space in the allocated string buffer.
|
2021-03-16 10:03:22 -04:00 |
|
|
|
2f8770971c
|
make use of utils::strdup() and simplify
|
2021-03-16 01:17:10 -04:00 |
|
|
|
8c4918457f
|
consistently compare atom->molecular against enumerator constants
|
2021-03-14 01:25:22 -05:00 |
|
|
|
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 |
|
|
|
4b15ffcf14
|
more use of ArgInfo class
|
2021-02-03 17:43:39 -05:00 |
|
|
|
1a7cb4647f
|
Merge pull request #2569 from akohlmey/collected-small-changes
Collected small changes for the next patch release
|
2021-02-01 20:18:48 -05:00 |
|
|
|
2ee701f719
|
also flush screen stdio buffer with thermo_modify flush yes
|
2021-02-01 18:43:42 -05:00 |
|
|
|
48f15e485d
|
put consistent definition of INVOKED_* constants as enumerator into compute.h
|
2021-01-31 20:13:47 -05:00 |
|
|
|
6147b9c2ef
|
doc page updates for energy contributions of thermostat and non-thermostat fixes
|
2021-01-26 08:51:47 -07:00 |
|
|
|
20650dc7ce
|
more changes
|
2021-01-21 12:16:39 -07:00 |
|
