b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
8c4918457f
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
c7b39283b1
need to transfer molecule templates when using "replicate"
2020-10-29 05:58:39 -04:00
9f1526c66d
cannot currently use replicate command with atom style template
2020-10-28 15:42:50 -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
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
c7c4297cfc
update include handling for commands
2020-09-03 00:51:58 -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
8558e9bd45
fix bug when applying floating point output formatting to integers
2020-08-04 19:10:19 -04:00
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
bf37e6aae1
Merge branch 'master' into write-bonus-data
2020-07-15 15:20:34 -04:00
ed1bdb8ed4
update output formatting
2020-07-12 16:33:47 -04:00
ecc5d3e353
must copy/multiply the numbers of ellipsoids,lines,tris,bodies
2020-07-08 21:12:29 -04:00
eafcc06670
secs -> seconds
2020-06-30 13:56:35 -04:00
c4855d95e7
more use of utils::logmesg() and {fmt}
2020-06-26 07:23:22 -04:00
b5b71bbb92
(re-)add example uses of {fmt}
2020-05-26 15:16:35 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
ecd3652f61
update to current master
2020-04-30 11:57:17 -06:00
1c15ba88f3
need to copy maxspecial and "extra" data to do a proper recreation
2020-04-20 15:27:30 -04:00
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
b6374bacfb
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
db6d272303
more additions to USER atom styles and bug fixes
2019-12-13 13:54:12 -07:00
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
9912c44413
rendevous comm option for special bonds and fix rigid/small
2019-03-26 11:01:33 -04:00
71e1867dd2
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
e337db4059
Replicate bbox from Chris Knight
2017-11-06 11:31:43 -07:00
58e1969de2
rename misleading "CPU time" into "Time spent"
2017-10-06 14:34:10 -04:00
214c0cfb2b
add atom_modify map yes, also timers to create_atoms and replicate
2017-10-05 16:44:24 -06:00
0f3e4182e8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +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
3a0aa84dc4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13385 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-03 15:51:23 +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
4455b66003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-28 19:58:51 +00:00
1f0f8c82c7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11352 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-28 21:50:39 +00:00
0ce16af78b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 22:46:08 +00:00
127eb167c1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-22 17:44:32 +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
971b4e98df
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10346 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-25 15:49:50 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +00:00
1dcaf9d44b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9418 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 21:40:44 +00:00
912cfaca75
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-25 15:15:41 +00:00
ef2bb14bab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8454 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-02 13:59:09 +00:00
0d3734ead4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-25 23:41:39 +00:00
