Commits · jonaslb/mbare · GitHub

8000 Commits · jonaslb/mbare · GitHub

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Commits on May 7, 2020
Added units argument Angstrom or nm
tanocalogero
committed
Added routines plot_spin_local_current, plot_spin_local_current_2cbar, plot_bc_UPplusDOWN
tanocalogero
committed
Commits on Apr 29, 2020
Updated CAP to host more than one orbital per atom
tanocalogero
committed
Commits on Sep 10, 2019
TBTGFSileTBtrans converted into tbtgfSileTBtrans
tanocalogero
committed
Commits on Aug 30, 2019
Added read_vectorcurrents and routines to plot local spin current from vector currents
tanocalogero
committed
Commits on Aug 28, 2019
tbtncTools: Added possibility of using spin polarization in CAP delta
tanocalogero
committed
Added possibility of writing CAP delta.nc file with spin polarization
tanocalogero
committed
Commits on Feb 21, 2019
Fixed some random stuff
tanocalogero
committed
Added tutorial on tip-graphene contact + epoxy. With this you learn how to run multi-DFT-module calculations.
tanocalogero
committed
Updated sub with sub_orbital
tanocalogero
committed
Update README.md
tanocalogero
authored
Here is a new directory with everything organized correctly
tanocalogero
committed
I made a mess
tanocalogero
committed
I made a mess and I need to reset
tanocalogero
committed
Commits on Feb 20, 2019
Renamed root directory
tanocalogero
committed
Moved files to v0 directory
tanocalogero
committed
Delete tbtncTools.py
tanocalogero
authored
Delete libINOUT.py
tanocalogero
authored
Delete INOUT.py
tanocalogero
authored
Uploaded Tutorial: injection into NPG. Fixed error in self-energy formula.
tanocalogero
committed
Commits on Nov 4, 2018
Turned uniq into unique in o2a routines. Added segment option for shape in Delta routine.
tanocalogero
committed
Commits on Oct 28, 2018
Removed useless argument. Turned uniq into unique. Updated TBTGF writing.
tanocalogero
committed
Commits on Oct 11, 2018
fixed small Ascii problem
tanocalogero
committed
Commits on Oct 10, 2018
Added routine to plot generic localDOS(x,y)
tanocalogero
committed
Commits on Sep 12, 2018
Removed trash file
tanocalogero
committed
libINOUT: added routines for setting up multi-modular Hamiltonians. Moved buffer writing from map_xyz to each of the self-energy building routines. tbtncTools: additional argument for shift in in p…
tanocalogero
committed
Commits on Aug 22, 2018
Added routine to allow a periodic TB model with a frame from non-periodic DFT
tanocalogero
committed
Commits on Aug 21, 2018
Small fix in what Delta returns
tanocalogero
committed
Fixed bug due to previous commit about buffer region definition
tanocalogero
committed
Merge pull request #2 from zerothi/speed-up-plots
tanocalogero
authored
trying to enhance plot utility
zerothi
committed
Commits on Aug 20, 2018
Fixed problem with definition of buffer atoms inside frame. Added a few extra features on various routines in tbtncTools
tanocalogero
committed
Commits on Aug 15, 2018
Updated prune routine with latest sisl Hamiltonian pruning routines
tanocalogero
committed
Commits on Aug 14, 2018
Log progress to file while looping over E and k points
tanocalogero
committed
Commits on Aug 7, 2018
Added new routine to allow storage of TBTGF with kpts, for usage in tbtrans with periodic boundary conditions
tanocalogero
committed
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