4738337e47
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
9058216a54
silence compiler warnings
2021-03-29 14:11:56 -04:00
806f4e73ed
make dihedral style table/cut a derived class from table and remove redundant code
2021-03-29 07:32:43 -04:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
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
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
4396dbd9a3
move Force::open_potential() to utils::open_potential()
2020-08-29 22:37:14 -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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
a42a86c0d2
Remove more c_str()
2020-06-05 12:13:41 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
9477df4244
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
5ca93e3651
move global settings in restart files for table styles to restart settings functions
2019-07-25 07:54:21 -04:00
c5044d6484
continuing include file handling cleanup
2019-07-10 08:49:16 -04:00
1bd47f0318
Merge pull request #1365 from martok/meamc-evclear
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Consolidate clearing of eflags and vflags
2019-03-25 13:14:59 -04:00
c0c61268ee
store only dihedral style info in restart, no coeffs
2019-03-19 11:56:23 -04:00
cf8bee9b46
remove unused and redundant data elements. no write_data support for tables.
2019-03-19 11:43:29 -04:00
fbd600592b
use ev_init for dihedrals
2019-03-13 17:53:22 +01:00
c42b269803
convert several more table styles to use utils::sfgets()
2019-02-05 16:18:55 +01:00
1c795a6be3
remove trailing blanks
2018-12-01 21:38:22 -05:00
308dac6821
fix force->bounds() bug and remove dead code
2018-05-11 15:54:51 -04:00
9674512997
new dihedral table/cut command
2018-05-11 07:36:40 -06:00
