Fixed uninitialized value
Fixed uninitialized value
Fixed requirement for regtest
Added check on format of xyz lines
Fixed traj format
Fixed leak in driver
Added check on format of xyz lines

(cherry picked from commit 3f29649154b0755601a4d0b0708227e9203362c8)
Fixed traj format

(cherry picked from commit 0f81aac60d7412743612589c01056e1fea6be7b1)
changelog
Merge branch 'v2.0' into v2.1
Merge branch 'v2.1' into v2.1-openmp