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Created with Raphaël 2.2.027Jan30Oct2930Apr15Nov30Sep24161312927Aug25Mar13719Nov181Oct8Nov1Feb26May23426Apr211824Mar23164Feb7Sep131Aug29282520111075May28Apr2422215Feb13Nov1223Oct20216May151425Apr231Mar276Dec6Mar26Feb252220191815518Jan14814Dec30Oct29262524Sep29Jul272516229Jun1120Feb8730Jan23191316Dec875130Nov28249718Oct14313Jul84Jun3129May28272625242018171614136Apr422Mar1918158743added a conversion script from alamode to castep.mastermasteraded conda reciperestructurerestructureinteractivity in searching for maximum contrast works againconda build okfixing scripts for python3correction suggested by Wolfgang Morgenrothcorrected dabaxcorrected f0output dei fattoridabaxdabaxlunghezze di estinzione OKcurva di riflettivita OKscritta riflettivita'formula Braggdabaxcorrected problems coming from python3correcting python3 changesMerge branch 'master' of https://gitlab.esrf.fr/mirone/ab2tdspython3corrected unit-conversion-factors for calculating Debye-Waller factorsretestadaptation to python3 : installs without errorspython23python23adapting to python3python2 to 3CDIadapted for volatile abinit formattried to fix abinit eigenvectors phasecorrections for proper normalisationabinit reading from BjornMerge branch 'master' into python3python3python3corr. for setup with p3fixed a mpi problem in parallel Fourier interpolationremoved unwanted filesMerge https://gitlab.esrf.fr/mirone/ab2tdscorrected the MPI type for Reduction from MPI.COMPLEX8 to MPI.__TypeDict__["F"]corrected initialisation of Temperature ( typo TEMPERATURE) in make_TDS_DWdoc redocmis a jour de la docsmall correctionremoved unuseful lineadded REREAD.py