abipy.tools.elate namespace

Submodules

abipy.tools.elate.elastic module

abipy.tools.elate.elastic.dirVec(theta, phi)[source]: Return a unit vector associated with angles theta and phi

abipy.tools.elate.elastic.dirVec1(theta, phi, chi)[source]: Return the first unit vector associated with angles (theta, phi, chi)

abipy.tools.elate.elastic.dirVec2(theta, phi, chi)[source]: Return the second unit vector associated with angles (theta, phi, chi)

abipy.tools.elate.elastic.minimize(func, dim)[source]: Find the global minimum of a function with 2 (theta, phi) or 3 (theta, phi, chi) parameters

abipy.tools.elate.elastic.maximize(func, dim)[source]: Find the global maximum of a function with 2 (theta, phi) or 3 (theta, phi, chi) parameters

class abipy.tools.elate.elastic.Elastic(s)[source]

Bases: object

An elastic tensor, along with methods to access it.

It will raise a ValueError when the input is invalid, and a TypeError if the input is valid but corresponds to a 2D material.

is2D()[source]

isOrthorhombic()[source]

isCubic()[source]

Young(x)[source]

Young_2(x, y)[source]

LC(x)[source]

LC_2(x, y)[source]

shear(x)[source]

Poisson(x)[source]

averages()[source]

eigenvalues()[source]

shear2D(x)[source]

shear3D(x, y, guess1=1.5707963267948966, guess2=1.5707963267948966)[source]

Poisson2D(x)[source]

Poisson3D(x, y, guess1=1.5707963267948966, guess2=1.5707963267948966)[source]

class abipy.tools.elate.elastic.ElasticOrtho(arg)[source]

Bases: Elastic

An elastic tensor, for the specific case of an orthorhombic system

Young(x)[source]

LC(x)[source]

shear(x)[source]

Poisson(x)[source]

class abipy.tools.elate.elastic.Elastic2D(s)[source]

Bases: object

Elastic tensor for 2D material, along with methods to access it

is2D()[source]

Young(theta)[source]

shear(theta)[source]

Poisson(theta)[source]

eigenvalues()[source]