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.
...
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
...
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
43d738e168
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-21 19:10:38 +00:00
aeb7fec23a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-02 02:15:39 +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
4ea728dc80
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-25 16:01:17 +00:00
0f6eb0877e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 16:30:03 +00:00
75a456247d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-14 21:25:49 +00:00
d560473a6b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12118 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-11 15:20:11 +00:00
fd1b9f2c5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11968 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 17:31:23 +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
4c9bba90f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 16:15:31 +00:00
36dfa44d34
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11688 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-03 14:56:12 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +00:00
3d6ac732ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:45:25 +00:00
677b11428e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11387 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-30 16:09:37 +00:00
