f7f5a3e3e4
replace static_cast<int>(val + 0.5) with C++11's std::lround()
2025-06-23 23:07:13 -04:00
e4dbfee498
replace fmt::print() with utils::print()
2025-01-23 00:11:31 -05:00
58513320d3
core files: replace sprintf with snprintf
2024-07-13 15:33:56 -06:00
149ffbb2b6
Clarify error message
2024-04-30 09:20:19 +02:00
b1e1b05e0b
Match dump_modify syntax for atom and custom dump styles
2024-04-29 13:51:26 +02:00
7905e5d146
Merge branch 'develop' into general-triclinic
...
# Conflicts:
# src/atom.cpp
2024-01-29 21:05:21 -05:00
6442e05988
even more define to static constexpr conversions
2024-01-25 02:17:28 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
45372937db
loads of whitespace fixes
2023-12-01 14:52:47 -05:00
dfafdff209
finalized dump command support for general triclinic
2023-11-20 12:06:58 -07:00
201f8cda9a
more updates
2023-10-12 06:49:59 -06:00
c5b2d66283
upgrades to read/write data commands
2023-09-15 16:49:56 -06:00
1ab26e083a
more general tri support in dump atom and dump custom
2023-09-06 10:11:04 -06:00
a38e0fb47b
restore clang-format comments
2023-06-23 08:22:31 -04:00
fcc3c99e2b
avoid segfaults if a dump is created and followed by run pre no
2023-06-20 13:31:16 -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
b3faffd32d
clear custom keywords when default column names change with dump_modify scale or image
2022-09-10 04:54:09 -04:00
7bba3c516f
avoid excess string copy in auto loops
2022-09-01 16:02:32 -04:00
dff3bc5656
Merge branch 'develop' into avoid-bigint-format-scanf
2022-04-08 17:39:25 -04:00
fb9316701b
port colname changes to MPIIO package
2022-04-01 14:57:41 -04:00
ce67cb0ca1
first stab at implementing dump_modify colname
2022-04-01 07:41:13 -04:00
c4729b39b4
replace more uses of XXXINT_FORMAT with fmtlib
2022-03-30 13:53:25 -04:00
56cd66a6c3
Merge branch 'master' into parse-logical-keyword
...
# Conflicts:
# src/H5MD/dump_h5md.cpp
2021-09-29 23:05:59 -04:00
6f87b1236a
cosmetic
2021-09-25 10:42:52 -04:00
53e773e438
calling fwrite() with a null pointer causes undefined behavior. avoid it.
2021-09-25 10:18:55 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -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
ffb86eb2ab
fix bug
2021-03-15 11:27:27 -04:00
b13e5fa234
simplify using std::string and utils::strdup(); get rid of strtok()
2021-03-15 09:36:49 -04:00
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
f9697bd9f5
Add optional TIME to binary dump atom format
2020-08-13 11:48:29 -04:00
6d80435b51
Refactoring dump_atom.cpp
2020-08-13 11:35:05 -04:00
6d825dcb6b
Add UNITS information to dump atom binary format
2020-08-13 10:49:03 -04:00
560c29a0e1
Extends header of new binary format of dump atom
2020-08-11 17:37:46 -04:00
b08751d65a
Add triclinic tests for dump atom
2020-08-11 16:17:36 -04:00
2ad9e06bac
Sync DumpAtom and binary2txt to generate the same
...
Modifies the binary dump atom format to include columns information.
binary2txt showcases how to detect the new format by checking for
negative ntimestep values. It increases the binary file size
16 bytes per timestep.
2020-08-11 14:59:01 -04:00
01214de6bd
add support for adding an ITEM: TIME output to some dump files
2019-09-30 11:03:22 -04:00
e413aaf217
add support for optionally including unit information in standard dump files
2019-09-12 14:37:42 -04:00
15d2e1b260
consistent formatting
2019-09-10 09:36:17 -04:00
cd846e1bbb
add ITEM: UNITS line to native text format dumps
2019-09-10 09:18:38 -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
31cbccda85
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
be6c086cb4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15428 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-03 16:29:35 +00:00
38226b8086
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-03 16:09:38 +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
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
