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
d6ba95bed6
minor tweaks
2020-09-04 08:05:59 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
fb7923df06
dead code removal
2020-07-16 21:14:22 -04:00
e98056c0e8
whitespace fixes
2020-07-16 19:03:30 -04:00
095c6a9850
Finished cleaning up and testing. MLIAPData class is now fully integrated with ComputeMLIAP and PairMLIAP
2020-07-11 19:01:16 -06:00
6c08503dff
Created MLIAP class for data, passes all tests
2020-07-10 16:25:28 -06:00
f360cca1a3
Created MLIAP class for data
2020-07-10 16:04:04 -06:00
0d570f5577
Removed a lot of LAMMPS dependence from Descriptor and Model classes
2020-07-09 19:22:41 -06:00
06a199f7d0
Added gradgradflag option to compute mliap
2020-07-07 20:28:18 -06:00
759797733d
Generalized the variable and function names
2020-07-05 18:58:32 -06:00
07afe1c66d
Added basic element map
2020-07-02 16:14:15 -06:00
bc36511767
Correctly reproduced examples/in.snap.compute, not yet for quadratic case
2020-07-02 14:32:47 -06:00
2a4e51fa38
Fixed a few problems, still not quite matching compute snap
2020-07-01 17:11:02 -06:00
aee3d9f2cd
Generated working example, not quite correct
2020-07-01 15:03:45 -06:00
9c7005a91c
It compiles, but not yet working
2020-06-30 19:14:01 -06:00
73ed317254
Added compute_mliap.cpp/h to MLIAP package
2020-06-22 11:38:02 -06:00
18597a6389
Removed computes
2020-06-22 10:00:19 -06:00
19f1d0445d
Added THIS IS NOT RIGHT note
2020-04-08 10:32:27 -06:00
0443ac2dd4
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
