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