added transition state files
changed sys log string
changed capitalisation to encourage quippy to wrap stuff properly
minor
Fix merge conflict
Noam suggested fix to GAP_VERSION problems in exported directory
added program to reorder atoms according to connectivity
corrected some bugs in reordering program
adjusted error message
disable timing info by default
Changed local virial so its compatible with the local energy defintion
fix inconsistency
added local virial test
Do not import ase submodules in miniase
numpy. -> np.
Do not link with -lthirdparty if HAVE_THIRDPARTY=0
Fix incompatibility with intel compiler
folded on minor changes form an old SVN branch on Hector
Fix broken code in quippy/miniase.py (introduced in commit e1928e4426d96f2c534c1e767280de56f5be434c)
added hector_mpi make file with 10 digits of precision for dp as used by Dario Alfe for compilation of VASP