Merge branch 'addEnvironments' of github.com:gotteric/master_MSQC
added the option to turn on the relEnergy to fir the energy difference rather than the absolut energy. Not sure if iscompletely right. The reference is the first env in the first geometry, should perhaps change this.
small bug
Can fit the energy difference to a given reference model
added the output with HL and LL data
Energy Differnce enabled in error, debugged
minor changes in creating data
Merge branch 'master' of https://github.com/gotteric/master_MSQC.git
Merge branch 'master' of github.com:gotteric/master_MSQC
minor change to support cached HL frag data
optmonitor fixed to save energy diff of test
new policy hybridslater2nocore
working on making cost work with energy diffs
added qr context type, not yet debugged
multifit changes
quick fix, so H-F bonds do not appear
moved files to oldApplications, util and deprecated
Fix multithread problem
Fix linux compatibility
Update .gitignore
Merge branch 'linux' of https://github.com/djyaron/master_MSQC into linux