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McStasMcXtrace
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iFit
a simple library to analyze data (with McCode and Phonons/DFT hooks). :warning: this project has been moved to https://gitlab.com/soleil-data-treatment/soleil-software-projects/remote-desktop
http://ifit.mccode.org
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miFit: add ROI support
#154
farhi
closed
6 years ago
3
ResLibCal: Convolution fitting of combined models
#153
tejsner
closed
6 years ago
3
Loaders: MCPL support ?
#152
farhi
closed
5 years ago
0
iFunc: binary op: allow iFunc + iData
#151
farhi
closed
6 years ago
0
Models: Rietveld: move from 'mcstas' to 'mccode' object
#150
farhi
closed
5 years ago
2
iData: interp: could use contrib 'regularizend' ?
#149
farhi
closed
6 years ago
1
iData/iFunc: can make use of cache calls 'memoize' ?
#148
farhi
closed
5 years ago
0
iFunc_Sqw2D: create 'LEAPR' models
#147
farhi
closed
5 years ago
5
iData_Sab: convert scripts into object methods
#146
farhi
closed
5 years ago
0
iData_Sqw2D: convert scripts into object methods
#145
farhi
closed
5 years ago
1
ResLibCal: conv: test 4D conv/TAS
#144
farhi
closed
6 years ago
1
Phonons: look if we can use Hessian from DFT
#143
farhi
closed
6 years ago
2
Phonons: add LDA/GGA+U
#142
farhi
closed
6 years ago
1
deep learning: use NN classifier to correlate input/output
#141
farhi
opened
6 years ago
3
miFit: add 'configuration' for Phonons
#140
farhi
closed
6 years ago
0
miFit: add a dialogue to read_cif(formulae) -> sqw_phonons
#139
farhi
closed
6 years ago
1
Models: Generalized Hydrodynamic (specialized)
#138
farhi
closed
6 years ago
1
Doc: rename Treatment into Neutron_Scattering
#137
farhi
closed
6 years ago
0
Process/Phonon/McCode: prepend DISPLAY=None to avoid some AMDGPU error
#136
farhi
closed
6 years ago
0
miFit: store Data and Models as cells to allow different class flavours
#135
farhi
closed
6 years ago
0
iFit:McCode:mcplot: plot detector vs scan step
#134
farhi
closed
6 years ago
3
iData: speed up iData instantiation
#133
farhi
closed
6 years ago
1
Models: Phonons: use ASE Espresso calculator if satisfactory
#132
farhi
closed
6 years ago
5
miFit: McCode: test and add fmax
#131
farhi
closed
6 years ago
1
add syntaxhighlighting
#130
jonasstein
closed
6 years ago
1
miFit: add configuration for neutron cross sections
#129
farhi
closed
4 years ago
2
miFit: add configuration 'McCode'
#128
farhi
closed
6 years ago
2
Treat: Sqw: Oskotskii / Bredov
#127
farhi
closed
5 years ago
2
Treat: Sqw: Skold
#126
farhi
closed
5 years ago
2
Treat: Sqw: Sjolander
#125
farhi
closed
5 years ago
1
Models: Sqw: phonons: support bigDFT
#124
farhi
closed
5 years ago
4
Models: Sqw: phonons: support TurboMole
#123
farhi
closed
6 years ago
0
Models: Sqw: phonons: support Siesta
#122
farhi
closed
6 years ago
5
Models: Sqw: phonons: support Octopus
#121
farhi
closed
6 years ago
10
Models: Sqw: phonons: support CP2K
#120
farhi
closed
5 years ago
10
Octave: porting as much as possible
#119
farhi
closed
5 years ago
0
Models: Phonons: compute 'properties' on equilibrium
#118
farhi
closed
6 years ago
1
this version is non-crashing in py3, but does not detect '>>' through…
#117
climbcat
closed
6 years ago
0
TextEdit: add Help menu items
#116
farhi
closed
6 years ago
1
Doc: simplify entry point
#115
farhi
closed
6 years ago
2
Models: Phonons: improve the ASE Phonon.C_N storage and use
#114
farhi
closed
5 years ago
3
Models: Phonons: ifit.py: return the number of remaining displacement instead of T/F
#113
farhi
closed
6 years ago
1
iFit: standalone: TextEdit+uicontrol(textentry) as command window
#112
farhi
closed
6 years ago
2
Models: Phonons: plot forces vs distance
#111
farhi
opened
7 years ago
0
Models: Phonons: specify binning for DOS
#110
farhi
closed
7 years ago
1
Models: Phonons: consider QE 6.1 package ?
#109
farhi
closed
7 years ago
2
iData: saveas: avi movie
#108
farhi
closed
7 years ago
2
Models: Phonons: using GPAW 0.9 with ASE 3.14 crashes
#107
farhi
closed
6 years ago
8
Models: Phonons: QEutil: fails import after calculator.run
#106
farhi
closed
7 years ago
3
ResLibCal: check points to ellipse
#105
farhi
closed
6 years ago
1
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