allcalc

Installation

npm i allcalc -g

Usage

run the calculations:

start calculations without any restrictions

start -f filter the result of calculation according to constraints

include element in calculations:

in [elements name]

for example: in fe al sn mg zn ni cr

exclude elements in calculations:

ex [elements name]

for example: ex fe al sn mg zn ni cr

constrain on the calcultions

Entalpy:

H -l'min value' -h'max value'

for example: H -l'-20' -h'10'

Entropy

S -l'min value' -h'max value'

for example: S -l'-20' -h'10'

Density

Dn -l'min value' -h'max value'

for example: Dn -l'-20' -h'10'

Delta

D -l'min value' -h'max value'

for example: D -l'-20' -h'10'

Omega

O -l'min value' -h'max value'

for example: O -l'-20' -h'10'

Electronegativity

E -l'min value' -h'max value'

for example: E -l'-20' -h'10'

Number of components

for example for 5 components alloy: nop 5

define allowable atomic fraction

for example: xi 0.05 0.1 0.2 0.3