9c129d3a34
update output of read_restart to make read_data and signify if atom style template is used
2020-10-24 01:05:11 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
4c51a8ae57
move version and num_ver from Universe to LAMMPS and make num_ver an int
2020-09-19 11:37:08 -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
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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
a4a1f7e848
more IWYU cleanup
2020-09-02 23:49:17 -04:00
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
71f13cee9d
add missing aspherical particle info to restart files
2020-07-09 11:21:59 -04:00
eafcc06670
secs -> seconds
2020-06-30 13:56:35 -04:00
3cd1341e64
make more use of convenience functions for adding fixes and computes
2020-06-28 18:57:22 -04:00
c4855d95e7
more use of utils::logmesg() and {fmt}
2020-06-26 07:23:22 -04:00
e4a3a518f7
more use of fmtlib and std::string
2020-06-25 22:50:38 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
b5b71bbb92
(re-)add example uses of {fmt}
2020-05-26 15:16:35 -04:00
860e67873c
rename lmp_restart.h to lmprestart.h to avoid confusing it with lmp_<machine> files
2020-01-31 11:18:08 -05:00
c021a2d185
multiple consistency improvements for restart files
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- make defines and enumerators automatically consistent by moving them to a shared header file
- change VERSION_NUMERIC to FORMAT_REVISION (and corresponding function names)
- new class member revision in ReadRestart class to allow backward compatibility
- step current FORMAT_REVISION to 1
- write the magic string a the end of each restart
- add a check, that skips to the end of a file and checks for the magic string and then returns
but do this only if FORMAT_REVISION is 1 or larger for backward compatibility
2020-01-31 10:49:59 -05:00
646dc83394
remove trailing whitespace
2020-01-21 15:46:28 -05:00
90ff2eb6c9
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
2020-01-21 13:31:47 -07:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
df3fad3b49
output number of processors when reporting a mismatch on reading a restart
2019-09-18 14:35:12 -04:00
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
171d74f2f2
remove class member name clashes. Pointers contains infile so we rename other uses to inpfile
2019-06-23 16:43:54 -04:00
3f9d59294e
replace STL map with atom->map in special, better code comments
2019-03-26 11:01:37 -04:00
9912c44413
rendevous comm option for special bonds and fix rigid/small
2019-03-26 11:01:33 -04:00
b417cfda9b
removed dead code and reduce compiler warnings about unused parameters
2019-02-03 11:36:41 -05:00
b34dac41c2
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
952e52982e
add comment to indicate code intended for backward compatibility only
2018-11-14 05:37:59 -05:00
17853aef20
modify restart changes, so it stays backward compatible and does not result in unexpected behavior when reading old restarts. also use consistent naming conventions for enum entries
2018-10-05 09:47:47 +02:00
7f8302b65b
replace extra_special with maxspecial in restarts
2018-10-04 22:08:43 -06:00
4d52cb9245
more buffer overflow avoiding through using snprintf()
2018-09-06 09:57:43 -04:00
783839e985
add support for restarting extra/XXX/per/atom settings in binary restarts
2018-07-16 15:21:52 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
69ca8e5503
print a message about the restored atom style
2018-03-19 18:57:28 -04:00
5cdc6097f4
abort with an error when a pair style incorrectly advertises a restart ability
2018-03-19 18:25:18 -04:00
16054cc327
print names of restored force field styles to screen and logfile
2018-03-19 18:04:08 -04:00
1f8c4f2c62
Remove hardcoded map variables and debug output
2017-08-25 15:31:00 -06:00
aedd7c57f3
Reset atom map values from restart file
2017-04-03 16:42:18 -06:00
661bd37e15
Make read_restart evenly divide the work of reading when using mpiio.
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Currently only affects restart files written without any per-atom fix data.
2017-03-27 15:03:34 -05:00
28784a4ce2
Now with the correct math, make read_restart properly size the atom_vec_* data
2017-03-27 08:38:40 -05:00
5f0823172c
Make read_restart properly size the atom_vec_* data when reading via mpiio
2017-03-27 06:56:28 -04:00
14994c04b0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15180 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-15 23:10:12 +00:00
6e3ea06b11
Allowing read_restart to use suffix style with pair style, etc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14754 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-21 14:51:07 +00:00
1901b7b33e
Allowing read_restart to use suffix style with avec
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14753 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-21 14:44:19 +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
7420059d76
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13990 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-03 00:08:34 +00:00
047be536bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-02 20:39:55 +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
050244f229
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-02 14:26:05 +00:00
