Dependencies

Requires Go, scipy, matplotlib, and GSL. On recent Debian-based distributions, obtain with:

sudo apt-get install golang python3-setuptools python3-numpy python3-matplotlib python3-tk python3-scipy libgsl-dev

Note - for older versions of Debian-based distributions, instead of installing libgsl-dev, obtain GSL with:

sudo apt-get install gsl-bin libgsl0ldbl libgsl0-dev

If you don't have a GOPATH:

mkdir ~/gopath

Then add the following to ~/.bashrc:

export GOPATH=$HOME/gopath

Requires scExplorer and cmatrix:

go get github.com/tflovorn/scExplorer
go get github.com/tflovorn/cmatrix

The root-finding implementation in scExplorer uses cgo to interface with GSL. In Go 1.6, a new rule was implemented which forbids passing a Go object through C which contains a pointer to another Go object. For now, we need to turn off this rule. Add the following to ~/.bashrc:

export GODEBUG=cgocheck=0

Requires tetra (Python implementation of tetrahedron method):

cd ~
git clone https://github.com/tflovorn/tetra.git
cd tetra
python3 setup.py develop --user

Installation

Get this repository:

go get github.com/tflovorn/vo2mft
cd $GOPATH/github.com/tflovorn/vo2mft

Build the solver:

cd vo2solve/vo2solve_front/
go build
cd ../../twodof/vo2solve_front
go build
cd ../..

Get libraries ctetra (C implementation of tetrahedron method) and bstrlib, included as submodules:

git submodule init
git submodule update

Build the DOS calculator:

cd tetra_dos/ctetra
make
cd ..
make
cd ..

Get setuptools and install using setup.py:

python3 setup.py develop --user

(NOTE - the mechanism used to traverse the directory structure of the repo is broken if setup.py install is used instead of develop. TODO - fix this?)

Usage

To build Fig. 2 of "Complex quasi two-dimensional crystalline order embedded in VO2 and other crystals":

cd vo2mft
python3 twodof_phase_diagram.py --multi_b_cutoff