5d5fc4a04d
simplify by using utils::strdup()
2021-03-16 08:56:52 -04:00
e3ecb6ccc4
must nullify "readers" array, so there is no crash when deleting it later
2020-10-23 04:21:15 -04:00
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
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -04:00
1597cd5dcb
T2345: After examining comments changed by batch conversion of NULL
...
to nullptr, I've corrected a small number where it seemed clear
that the previous NULL should have been either "NULL" (where the
code is looking for a string with that value), or null char / null byte
(where the comment is talking about the char/byte that terminates
a c-style string).
Also changed 6 places where the batch change had changed 'NULL ptr'
to 'nullptr ptr'. Now they simply say 'nullptr'.
2020-09-12 09:34:39 -06:00
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
390c6ba106
rechecking some corefiles with IWYU after the many updates
2020-09-03 15:28:07 -04:00
a4a1f7e848
more IWYU cleanup
2020-09-02 23:49:17 -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
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
e4a3a518f7
more use of fmtlib and std::string
2020-06-25 22:50:38 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
...
# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
73c6171ad6
get rid of BIGINT_FORMAT and use utils::logmesg()
2020-06-05 08:19:45 -04:00
dd11fb3964
remove .c_str() and simplify output in several places
2020-06-03 16:37:30 -04:00
125a82f572
change isReaderParallel flag to parallel and generally adapt more to LAMMPS programming style
2020-01-20 09:20:42 -05:00
580909fd47
Implement read_dump with format 'adios'. It modifies read_dump.cpp to support reading from one dataset by all processes.
2020-01-20 09:20:42 -05:00
55fde76d59
may only close files on MPI ranks that have a file reader instance
2019-12-16 07:22:41 -05:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
74414afdea
Added the boxinfo argument
2019-07-08 17:25:23 -06:00
65e281d661
Fixed a few problems with read_dump xyz
2019-07-07 18:00:07 -06:00
ce6fa0118a
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
d640c712f8
apply new utility function to most places creating new styles
2019-04-07 21:18:20 -04:00
b6b0d0b30e
minor whitespace cleanup commit to retrigger PR tests on github
2019-03-26 16:43:09 -04:00
4e9b987fec
bug fix in original read_dump for add keep atom count
2018-11-29 15:54:14 -07:00
0a4007c55b
add parallel file read capability to ReadDump
2018-10-26 17:37:50 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5fd17670b1
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
da9f63210e
rephrase error message, remove trailing whitespace
2018-03-27 13:59:21 -04:00
e8b8428f6b
new option *add keep* added to read_dump
2018-03-27 10:08:58 -06:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
c31f1e9f22
add fix mscg command, example, lib
2017-01-09 13:36:40 -07:00
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
0fd57a6fe4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14395 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-21 16:44:00 +00:00
b741a77712
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-07 21:03:31 +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
86daf16069
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-28 15:55:56 +00:00
e59417b0f7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12979 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-20 23:25:40 +00:00
d30ce3fe1f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12828 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-13 00:42:32 +00:00
1af7b06052
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12827 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-12 00:20:19 +00:00
f14e5cdce6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:15:46 +00:00
bd0eaad6ec
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12353 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-27 15:00:23 +00:00
de0c8d1f14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11946 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-08 14:51:32 +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
a1ef01fc1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-14 16:17:20 +00:00
6a189f3188
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10811 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-09-18 17:15:38 +00:00
d28e92e032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10806 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-09-18 16:20:58 +00:00
