275626a1de
re-enable perpertual neighborlist for compute entropy/atom if avg flag is used only
2020-02-26 13:57:11 -05:00
eb51511ddf
Change compute entropy/atom to use occasional neigh list
2020-02-25 10:48:00 -07:00
c5044d6484
continuing include file handling cleanup
2019-07-10 08:49:16 -04:00
136e247cd8
compute entropy/atom - Use NL with ghost atoms only with avg yes
2019-01-30 14:59:23 +01:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
75a3968039
multiple small tweaks to compute entropy/atom
...
- improve error detection and messages
- avoid sigma/cutoff to be zero (and thus division by zero)
- move new/delete of temporary storage outside of loop
2018-06-29 06:48:11 -04:00
4f9c0456e6
eliminate variable length arrays from compute entropy/atom
2018-06-29 01:22:26 -04:00
f36e1a2cdc
Changed default deltabin from 2 to 3
2018-06-26 13:06:04 +02:00
86519ce213
Rename compute to entropy/atom
2018-06-24 00:25:07 +02:00
