started pseudo-implementing gonum
started pseudo-implementing gonum 2
just added gocoords
ported chem.go and files.go, not tested
files.go and chem.go pass first tests
geometric.go and matrix.go ported, not tested
matrix.go and geometric.go pass basic tests. Test for gnEigen still needed, will com with clifford.go and handy.go
clifford.go, handy.go, geometric.go, matrix.go ported and tested
clifford.go, handy.go, geometric.go, matrix.go ported and tested
ramachandran.go and all xtc things ported and tested
Everything ported and (mostly )tested
added a new function to filter by residue in Ramachandran plots
added some missing files
Possibly the last commit with the old math API
first attempt of merging the new api
Merge branch 'gonum'
made some matrix functions exported
adding checks. No API breakage since last commit
Minor fixes and README update
corrected an error in the ORCA module. API BREAK: for SCFTightness and SCFConvHelp methods of QMCalc,  now 0 is the default, and no help, instead of 1. Thus, numeration now goes from 0 to 2 instead of from 1 to 3