Gibbs Controls¶
Get data controls¶
Used to get Gibbs or Tc data from the database.
Input |
Output |
|
|---|---|---|
Database |
Data_gibbs |
Data_tc |
Parameter configuration:
Param Data type, Gibbs or Tc
jobs_id Enter task id
Get data Get the corresponding data from the database and pass it down
Get EV controls¶
Used to get Gibbs or Tc data from the database.
Input |
Output |
|
|---|---|---|
Database |
EV |
E |
Parameter configuration:
jobs_id Enter task id
Get E-V Get the corresponding data from the database and pass it down
Run BulkModule controls¶
Used to calculate the bulk modulus of the material.
Input |
Output |
|---|---|
EV |
Gibbs Outputs |
Parameter configuration:
Run BulkModule Calculate the bulk modulus
Gibbs WF controls¶
Used to calculate Gibbs workflow.
Input |
Output |
|---|---|
EV |
Workflow List |
Parameter configuration:
V-E-file Local EV file
mm
vfree
pressure Pressure
temperature Temperature
phase Phase
tmodel Model
tmodel_par Model parameters
fit_model Fit model
fit_order Fit order
units_V Units of volume
units_E Units of energy
poisson Poisson constant
send wfs Send configured workflows
Gibbs analyze controls¶
Used to draw Gibbs calculation data image.
Input |
Output |
|---|---|
Gibbs Outputs |
None |
Parameter configuration:
Parameter selection bar Select the x and y coordinate parameters to be drawn
Run Draw image
Volume Scale controls¶
Used for volume scaling of the structure for Tc calculation.
Input |
Output |
|---|---|
structure |
many structures |
Parameter configuration:
openfile Select local crystal structure file
Volume scale Volume scale
Point number Point number
Run Run control, output multiple structure information
Tc Input controls¶
Parameter configuration for Tc calculation.
Input |
Output |
|
|---|---|---|
EV |
Diffuse |
Params |
Parameter configuration:
Nx x spin
Ny y spin
N2 Total spin
MCSteps MC steps
K_B Boltzmann constant
B Magnetic induction
J Ferromagnetic coefficient
Mu Magnetic moment of each particle
Tmin Minimum temperature
Tmax Maximum temperature
DeltaT Temperature step
run Configure parameter file and pass parameters
Tc WF controls¶
Used to calculate Tc workflow.
Input |
Output |
|---|---|
Params |
Workflow List |
Parameter configuration:
Send wfs Send workflow information
