- 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

Pair entropy fingerprint

New paramteters for potential #839

Added newsystem flag to be passed to latte

made latte.in compatible with v1.1.1 and updated log files

Bug fixes and updates to the GPU package

Expand cmake documentation

Collected small changes and bugfixes for next patch release

Added boxrel example and simplified latte.in

cmake: implicit fortran libs need to linked last

add more thorough checks on parsing reaxff force field and signal when the lgvdw setting is correct.

closes #876