© MatCalc (2008)
 
 
 
 
 
 
 
 
   
 
   

List of commands

Introduction

The console and the use of command-lines provides an alternative to using the GUI, with the advantage that previously used commands can be recalled using the up-arrow or the 'command history' window. In addition, commands can be grouped into scripts to facilitate complicated or repetitive tasks. Examples of the use of commands in the console and in scripts are given in Tutorial 10 and Tutorial 11 respectively.

List by group

>>>> Alternatively, go to an alphabetic list of commands <<<<<

Workspace (list using help_workspace or ?)

? (question mark)
HELP_WORKSPACE
HELP_CORE
ECHO
! (exclamation mark)
EXIT
NEW_WORKSPACE
READ_WORKSPACE
SAVE_WORKSPACE
CLOSE_WORKSPACE
SET_WORKSPACE_PROPERTY
SET_WORKSPACE_INFO
LIST_WORKSPACE_INFO
RUN_SCRIPT_FILE
NEW_GUI_WINDOW
REMOVE_GUI_WINDOW
MOVE_GUI_WINDOW
SET_GUI_WINDOW_PROPERTY
UPDATE_GUI_WINDOWS
LIST_GUI_WINDOW_PROPS
LIST_ALL_GUI_WINDOWS
CREATE_NEW_PLOT
SET_PLOT_OPTION
LIST_PLOT_OPTIONS
REMOVE_PLOT
LIST_ALL_PLOTS

Core (list using help_core or help_core core)

RESTART
LICENSE_INFO
GIBBS_CALC_STATUS
TEST_COMMAND
STOP_CURRENT_ACTION
LIST_DATABASE_CONTENTS
SELECT_ELEMENTS
SELECT_PHASES
SET_REFERENCE_ELEMENT
ENTER_COMPOSITION
SET_TEMPERATURE_CELSIUS
SET_TEMPERATURE_KELVIN
SET_PRESSURE
SET_AUTOMATIC_STARTVALUES
APPLY_TANGENT_CONSTRUCTION
CALCULATE_EQUILIBRIUM
SEARCH_PHASE_BOUNDARY
STEP_EQUILIBRIUM
LIST_EQUILIBRIUM
LIST_CORE_STATUS
SET_STEP_OPTION
LIST_STEP_OPTIONS
CHANGE_PHASE_STATUS
LIST_PHASE_STATUS
CREATE_NEW_PHASE
REMOVE_PHASE
SHOW_EXPRESSION
SET_VARIABLE_VALUE
REMOVE_VARIABLE
LIST_ALL_VARIABLES
SET_FUNCTION_EXPRESSION
LIST_ALL_FUNCTIONS
REMOVE_FUNCTION
EDIT_SYMBOL
EDIT_PARAMETER
LIST_SYMBOLS
LIST_PARAMETERS

Input/output (list using help_core io)

OPEN_THERMODYN_DATABASE
READ_THERMODYN_DATABASE
READ_MOBILITY_DATABASE
READ_PHYSICAL_DATABASE
LIST_CURRENT_DIRECTORIES
SET_APPLICATION_DIRECTORY
SET_WORKING_DIRECTORY

Precipitation (list using help_core precipitation)

START_PRECIPITATE_SIMULATION
START_TTP_SIMULATION
CALC_NUCLEUS_COMPOSITIONS
RELAX_MECHANICAL_STRESS
CREATE_PRECIPITATION_DOMAIN
REMOVE_PRECIPITATION_DOMAIN
LIST_PRECIPITATION_DOMAINS
SET_PRECDOMAIN_INTERACTION
LIST_PRECDOMAIN_INTERACTIONS
REMOVE_PRECDOMAIN_INTERACTION
SET_PRECIPITATION_PARAMETER
LIST_PRECIPITATION_PARAMETERS
LIST_PRECIPITATE_DISTRIBUTION
SET_SIMULATION_PARAMETER
LIST_SIMULATION_PARAMETERS
SET_TTP_PARAMETER
LIST_TTP_PARAMETERS
CLEAR_TTP_BUFFER

Grid simulation (list using help_core grid_simulation)

START_GRID_SIMULATION
CREATE_SIMULATION_GRID
INITIALIZE_CELL_COORDINATES
EDIT_GRID_SELECTION
LIST_GRID_STATUS

Calculation states (list using help_core state)

CREATE_CALC_STATE
SELECT_CALC_STATE
LIST_CALC_STATES
LOAD_CALC_STATE
STORE_CALC_STATE
REMOVE_CALC_STATE
RENAME_CALC_STATE

Calculation buffers (list using help_core buffer)

CREATE_CALC_BUFFER
LIST_CALC_BUFFERS
SELECT_CALC_BUFFER
CLEAR_CALC_BUFFER
REMOVE_CALC_BUFFER
RENAME_CURRENT_BUFFER
LOAD_BUFFER_STATE
LIST_BUFFER_CONTENTS

Tables (list using help_core tables)

CREATE_GLOBAL_TABLE
EDIT_GLOBAL_TABLE
LIST_TABLE_CONTENTS
LIST_GLOBAL_TABLES
REMOVE_GLOBAL_TABLE
IMPORT_GLOBAL_TABLE
ADD_TABLE_ENTRY
SET_TABLE_ENTRY

Transformations (list using help_core transformations)

LIST_GLOBAL_TRANSFORMATIONS
CREATE_GLOBAL_TRANSFORMATION
REMOVE_GLOBAL_TRANSFORMATION
LIST_TRANSFORMATION_OPTIONS
SET_TRANSFORMATION_OPTION

Alphabetic list

>>>>>Alternatively, go to commands listed by group<<<<<

! (exclamation mark)
? (question mark)

ADD_TABLE_ENTRY
APPLY_TANGENT_CONSTRUCTION
CALC_NUCLEUS_COMPOSITIONS
CALCULATE_EQUILIBRIUM
CHANGE_PHASE_STATUS
CLEAR_CALC_BUFFER
CLEAR_TTP_BUFFER
CLOSE_WORKSPACE
CREATE_CALC_BUFFER
CREATE_CALC_STATE
CREATE_GLOBAL_TABLE
CREATE_GLOBAL_TRANSFORMATION
CREATE_NEW_PHASE
CREATE_NEW_PLOT
CREATE_PRECIPITATION_DOMAIN
CREATE_SIMULATION_GRID
ECHO

EDIT_GLOBAL_TABLE
EDIT_GRID_SELECTION
EDIT_SYMBOL
EDIT_PARAMETER
ENTER_COMPOSITION
EXIT
GIBBS_CALC_STATUS
HELP_CORE

HELP_WORKSPACE
IMPORT_GLOBAL_TABLE
INITIALIZE_CELL_COORDINATES
LICENSE_INFO
LIST_ALL_FUNCTIONS
LIST_ALL_GUI_WINDOWS
LIST_ALL_PLOTS
LIST_ALL_VARIABLES
LIST_BUFFER_CONTENTS
LIST_CALC_BUFFERS
LIST_CALC_STATES
LIST_CORE_STATUS
LIST_CURRENT_DIRECTORIES
LIST_DATABASE_CONTENTS
LIST_EQUILIBRIUM
LIST_GLOBAL_TABLES
LIST_GLOBAL_TRANSFORMATIONS
LIST_GRID_STATUS
LIST_GUI_WINDOW_PROPS
LIST_PARAMETERS
LIST_PHASE_STATUS
LIST_PLOT_OPTIONS
LIST_PRECDOMAIN_INTERACTIONS
LIST_PRECIPITATE_DISTRIBUTION
LIST_PRECIPITATION_DOMAINS
LIST_PRECIPITATION_PARAMETERS
LIST_SIMULATION_PARAMETERS
LIST_STEP_OPTIONS
LIST_SYMBOLS
LIST_TABLE_CONTENTS
LIST_TRANSFORMATION_OPTIONS
LIST_TTP_PARAMETERS
LIST_WORKSPACE_INFO
LOAD_BUFFER_STATE
LOAD_CALC_STATE
MOVE_GUI_WINDOW
NEW_GUI_WINDOW
NEW_WORKSPACE
OPEN_THERMODYN_DATABASE
READ_MOBILITY_DATABASE
READ_PHYSICAL_DATABASE
READ_THERMODYN_DATABASE
READ_WORKSPACE
RELAX_MECHANICAL_STRESS
REMOVE_CALC_BUFFER
REMOVE_CALC_STATE
REMOVE_FUNCTION
REMOVE_GLOBAL_TABLE
REMOVE_GLOBAL_TRANSFORMATION
REMOVE_GUI_WINDOW
REMOVE_PHASE
REMOVE_PLOT
REMOVE_PRECDOMAIN_INTERACTION
REMOVE_PRECIPITATION_DOMAIN
REMOVE_VARIABLE
RENAME_CALC_STATE
RENAME_CURRENT_BUFFER
RESTART
RUN_SCRIPT_FILE
SAVE_WORKSPACE
SEARCH_PHASE_BOUNDARY
SELECT_CALC_BUFFER
SELECT_CALC_STATE
SELECT_ELEMENTS
SELECT_PHASES
SET_APPLICATION_DIRECTORY
SET_AUTOMATIC_STARTVALUES
SET_FUNCTION_EXPRESSION
SET_GUI_WINDOW_PROPERTY
SET_PLOT_OPTION
SET_PRECDOMAIN_INTERACTION
SET_PRECIPITATION_PARAMETER
SET_PRESSURE
SET_REFERENCE_ELEMENT
SET_SIMULATION_PARAMETER
SET_STEP_OPTION
SET_TABLE_ENTRY
SET_TEMPERATURE_CELSIUS
SET_TEMPERATURE_KELVIN
SET_TRANSFORMATION_OPTION
SET_TTP_PARAMETER
SET_VARIABLE_VALUE
SET_WORKING_DIRECTORY
SET_WORKSPACE_PROPERTY

SET_WORKSPACE_INFO
SHOW_EXPRESSION
START_GRID_SIMULATION
START_PRECIPITATE_SIMULATION
START_TTP_SIMULATION
STEP_EQUILIBRIUM
STOP_CURRENT_ACTION
STORE_CALC_STATE
TEST_COMMAND
UPDATE_GUI_WINDOWS

Full details of commands

! (exclamation mark)
WORKSPACE group
Enables the user to call system commands
Notes: prefix the system command with the exclamation mark, e.g. !ls

? (question mark)
WORKSPACE group
Get list of commands for workspace module
No arguments

ADD_TABLE_ENTRY
TABLES group
Enter a datum point into a table
Arguments: <name of table>; x-value; y-value
Notes: appends the new point to the end of the table; compare SET TABLE_ENTRY which modifies the y-value corresponding to an existing x-value or inserts a new x-y point in a position such that the entries in the table are sorted in order of increasing x-value

APPLY_TANGENT_CONSTRUCTION
CORE group
Tries to construct parallel tangents for the chemical potentials with regard to the reference phase. Only inactive phases are included in the calculation
No arguments

CALC_NUCLEUS_COMPOSITIONS
PRECIPITATION group
Calculates composition of precipitate nuclei.
No arguments
Notes: This procedure is automatically carried out at the beginning of a precipitate simulation. The result depends on the model chosen for nucleus composition (para-equilibrium, ortho-equilibrium, user-defined composition...)

CALCULATE_EQUILIBRIUM
CORE group
Calculates an equilibrium at a given set of temperature and pressure conditions for system specified.
No arguments
Notes: 1. If a 'dfm-error' message is obtained after using this command, use SET_AUTOMATIC_STARTVALUES to re-initialise variables. 2. Temperature is set using SET_TEMPERATURE_CELSIUS or SET_TEMPERATURE_KELVIN, pressure by SET_PRESSURE. Default values are 1000°C, 1273.16 K and 101023 Pa respectively.

CHANGE_PHASE_STATUS
CORE group
Change the flags, constraints etc. for a phase
Arguments: (f)lags/(p)hase fraction/(m)ajor constituents/(c)onstraints
Notes: Many sub-arguments and options. See separate page

CLEAR_CALC_BUFFER
BUFFER group
Removes all data from current calculation buffer
No arguments
Notes: Subsequent use of LIST_BUFFER_CONTENTS gives 'Error-empty' message

CLEAR_TTP_BUFFER
PRECIPITATION group
Removes all data from theTTP buffer
No arguments

CLOSE_WORKSPACE
WORKSPACE group
Closes the current workspace
No arguments
Notes: Prompts to save the current workspace

CREATE_CALC_BUFFER
BUFFER group
Creates a new calculation buffer
Arguments: <name of buffer>

CREATE_CALC_STATE
STATE group
Creates a new calculation state and saves the current equilibrium into it
Arguments: <name of calculation state>

CREATE_GLOBAL_TABLE
TABLES group
Creates a new table
Arguments: <name for table>
Notes: The contents of the table are defined separately, using ADD_TABLE_ENTRY and SET_TABLE_ENTRY

CREATE_GLOBAL_TRANSFORMATION
TRANSFORMATIONS group
Creates a new transformation
Arguments: <name for transformation>

CREATE_NEW_PHASE
CORE group
Creates a new phase (of '(e)quilibrium', '(p)recipitate' or '(t)ransformation' type) from an existing one
Arguments: parent phase; type of phase (p, e, t)

CREATE_NEW_PLOT
WORKSPACE group
Meaning: Creates a new plot in an existing window
Arguments: Type of plot ((X)Y-plot/(p)recipitate distribution/(1)D grid profile/(2)D grid surface /x/); name of window to which to attach plot.

CREATE_PRECIPITATION_DOMAIN
PRECIPITATION group
Create a named precipitation domain
Arguments: <name of domain>
Notes: The parameters of the domain are set up separately using SET_PRECIPITATION_PARAMETER

CREATE_SIMULATION_GRID
GRID_SIMULATION group
Not yet implemented

ECHO
WORKSPACE group
For script processing: determines whether the commands are displayed during the execution of a script
Arguments: y, n

EDIT_GLOBAL_TABLE
TABLES group
Not yet implemented

EDIT_GRID_SELECTION
GRID_SIMULATION group
Not yet implemented

EDIT_PARAMETER
CORE group
Not yet fully implemented

EDIT_SYMBOL
CORE group
Not yet fully implemented

ENTER_COMPOSITION
CORE group
Enter compositional data
Arguments: Unit qualifier; compositions of elements
Notes: for the unit qualifier, the options are x, u and w, which represent respectively mole fraction, u-fraction and mass fraction. An optional 'p' can be appended to any of these to express the fraction as a percentage. The composition itself is entered in the format Mn=0.32 C=0.01

EXIT
WORKSPACE group
Closes MatCalc
No arguments
Notes: prompts to save the workspace and any other open files.

GIBBS_CALC_STATUS
CORE group
Returns the message '...ready...' if the system has been correctly set up and is ready to perform a calculation, otherwise '*** error *** no active workspace, use 'NEW_WORKSPACE' or READ_WORKSPACE first ...'
No arguments

HELP_CORE
WORKSPACE group
Help: shows the command list for the 'core' module and sub-modules
Arguments: core, io, precipitation, grid_simulation, state, buffer, tables, transformations
Notes: help_core by itself produces list of core commands; one of the arguments above is needed to display a sub-list. Unambiguous abbreviations of the arguments are sufficient.

HELP_WORKSPACE
WORKSPACE group
Help: shows the command list for the 'workspace' module
No arguments

IMPORT_GLOBAL_TABLE
TABLES group
Not yet implemented

INITIALIZE_CELL_COORDINATES
GRID_SIMULATION group
Not yet implemented

LICENSE_INFO
CORE group
Gives the current licence status
No arguments

LIST_ALL_FUNCTIONS
CORE group
Lists current user-defined functions
No arguments

LIST_ALL_GUI_WINDOWS
WORKSPACE group
Lists the identities of all GUI display windows
No arguments

LIST_ALL_PLOTS
WORKSPACE group
Lists all plots with type, location and path
No arguments

LIST_ALL_VARIABLES
CORE group
Lists current user-defined variables
No arguments

LIST_BUFFER_CONTENTS
BUFFER group
Lists the equilibria or precipitation calculation status data in the current buffer
No arguments
Notes: Only the currently selected buffer is available using this command. To access others, use SELECT_CALC_BUFFER first

LIST_CALC_BUFFERS
BUFFER group
Lists the available calculation buffers
No arguments

LIST_CALC_STATES
STATE group
Lists the available calculation states
No arguments

LIST_CORE_STATUS
CORE group
Lists the status of the system
No arguments
Notes: Information supplied includes temperature, composition, elements and phases in the system

LIST_CURRENT_DIRECTORIES
IO group
Lists the application directory, working directory and the last file i/o operation path
No arguments

LIST_DATABASE_CONTENTS
CORE group
Lists the elements and phases in a database
Arguments: (e)quilib/(d)iffusion/(p)hysical
Notes: Only the equilibrium part of this command is currently implemented

LIST_EQUILIBRIUM
CORE group
Lists phase status information (and compositions of phases if required) following an equilibrium calculation
Arguments: (x)/(u) mole/u-fraction/(w)eight-scale/(p)ercent/(s)ummary /x/
Notes: There are two possibilities with this command: 1. 'x', 'u' or 'w' to display compositions in mole fraction, u-fraction or mass fraction respectively. Optional appending of 'p' allows the values to be displayed as percentages; 2. 's' for a summary (no composition data). The first option gives the same information as the Phase Status window, and the second, the contents of the Phase Summary window.

LIST_GLOBAL_TABLES
TABLES group
Lists the available tables
No arguments

LIST_GLOBAL_TRANSFORMATIONS
TRANSFORMATIONS group
Lists the available transformations
No arguments

LIST_GRID_STATUS
GRID_SIMULATION group
Not yet implemented

LIST_GUI_WINDOW_PROPS
WORKSPACE group
Lists the properties of GUI windows, e.g. the identity of the data set(s) plotted in the window
Arguments: window number, or '.' for currently active window
Notes: The output appears in the following format: 'name: /9/ Prec-dist - no name; attached phase: *** none ***; attached buffer: _default_; variables: *** none ***'

LIST_PARAMETERS
CORE group
Lists thermodynamic, diffusional or physical parameters
Arguments: (t)hermodynamic, (d)iffusional, (p)hysical; sub-arguments relating to phases and elements

LIST_PHASE_STATUS
CORE group
Lists status settings for the specified phase
Arguments: <phase name>
Notes: 1. Full information consists of phase constituents, mole fraction of phase in system, phase flags (active, inactive, dormant etc.) and compositional constraints; 2. Properties specific to precipitates are listed elsewhere, in LIST_PRECIPITATION_PARAMETERS

LIST_PLOT_OPTIONS
WORKSPACE group
Not yet implemented

LIST_PRECDOMAIN_INTERACTIONS
PRECIPITATION group
Not yet implemented, as of October 2005

LIST_PRECIPITATE_DISTRIBUTION
PRECIPITATION group
Lists each precipitate class, number of precipitates in the class, radius and composition for the specified phase
Arguments: <name of precipitate phase>

LIST_PRECIPITATION_DOMAINS
PRECIPITATION group
Lists the available precipitation domains
No arguments

LIST_PRECIPITATION_PARAMETERS
PRECIPITATION group
Lists the status of a precipite phase or precipitation domain
Arguments: <name of phase or domain>

LIST_SIMULATION_PARAMETERS
PRECIPITATION group
Lists the current status of the parameters for kinetic simulations
No arguments
Notes: Includes numerical and convergence control options currently selected. These can be modified using SET_SIMULATION_PARAMETER.

LIST_STEP_OPTIONS
CORE group
Lists the current status of the parameters for stepped equilibrium calculations
No arguments

LIST_SYMBOLS
CORE group
Lists values of the symbolic expressions for thermodynamics, diffusion or physical property calculations
Arguments: thermodynamic, diffusion or physical; sub-arguments

LIST_TABLE_CONTENTS
TABLES group
Lists the data entries in the selected table
Arguments: <name of table>

LIST_TRANSFORMATION_OPTIONS
TRANSFORMATIONS groupLists current values of the parameters for the selected transformation
Arguments: <name of transformation>

LIST_TTP_PARAMETERS
PRECIPITATION group
Lists current values of the TTP calculation parameters
No arguments

LIST_WORKSPACE_INFO
WORKSPACE group
Lists any existing workspace information
No arguments
Notes: workspace information can be added using SET_WORKSPACE_INFO

LOAD_BUFFER_STATE
BUFFER group
Loads a selected calculation state from the current buffer
Arguments: <line index> (-1 for last line)
Notes: This command loads data (phase status, phase details) from the buffer state into the system. The buffer itself cannot be chosen using this command; select it first using SELECT_CALC_BUFFER

LOAD_CALC_STATE
STATE group
Loads the equilibrium state from currently the selected calc state
No arguments
Notes: The calculation state required must first be selected using SELECT_CALC_STATE

MOVE_GUI_WINDOW
WORKSPACE group
Moves the selected display window
Arguments: window number, or '.' for currently active window; then (x-position y-position width height) or 'show'/'hide'

NEW_GUI_WINDOW
WORKSPACE group
Creates a new display window
Arguments: window type code

NEW_WORKSPACE
WORKSPACE group
Creates a new workspace file
No arguments
Notes: this command does not prompt the user to save the current workspace file before creating the new one. This should be saved using SAVE_WORKSPACE before proceeding if required.

OPEN_THERMODYN_DATABASE
IO group
Selects a thermodynamic database and opens it to allow the user to choose elements and phases
Arguments: <name of database>
Notes: The full path of the database must be supplied if it is not in the standard directory entitled /database

READ_MOBILITY_DATABASE
IO group
Selects a mobility database and reads in data from it
Arguments: <name of database>
Notes: 1. This command has no GUI equivalent; 2. The full path of the database must be supplied if it is not in the standard directory entitled /DiffusionData

READ_PHYSICAL_DATABASE
IO group
Selects a physical database and reads in data from it
Arguments: <name of database>
Notes:1. This command has no GUI equivalent; 2. The full path of the database must be supplied if it is not in the standard directory entitled /PhysicalData

READ_THERMODYN_DATABASE
IO group
Reads thermodynamic data for the selected elements and phases into the system
No arguments
Notes: Before executing this command, the thermodynamic database should be selected using OPEN_THERMODYN_DATABASE and the elements and phases chosen using SELECT_ELEMENTS and SELECT_PHASES

READ_WORKSPACE
WORKSPACE group
Opens an existing workspace file
Arguments: <name of file> or '.' for most recent file
Notes: 1. the .mcw extension is optional; 2. unless the file is in the working directory, the full path or the path relative to the working directory is necessary

RELAX_MECHANICAL_STRESS
PRECIPITATION group
Still under development

REMOVE_CALC_BUFFER
BUFFER group
Deletes the currently selected buffer
No arguments
Notes: In the case of multiple buffers, the buffer to be deleted must first be selected using SELECT_CALC_BUFFER

REMOVE_CALC_STATE
STATE group
Deletes the currently selected calculation state
No arguments
Notes: In the case of multiple calculation states, the state to be deleted must first be selected using SELECT_CALC_STATE

REMOVE_FUNCTION
CORE group
Removes the specified user-defined function
Arguments: <name of function>

REMOVE_GLOBAL_TABLE
TABLES group
Removes the specified table
Arguments: <name of table>

REMOVE_GLOBAL_TRANSFORMATION
TRANSFORMATIONS group
Removes the specified transformation
Arguments: <name of transformation>

REMOVE_GUI_WINDOW
WORKSPACE group
Removes the specified display window
Arguments: window number, or '.' for currently active window
Notes: each window has an ID number (SET_WORKSPACE_PROPERTY has an option to display this if it is not already visible)

REMOVE_PHASE
CORE group
Removes the specified phase from the system
Arguments: <phase name>
Notes: Rather than removing a phase definitively, it is often more appropriate to suspend it (for an equilibrium calculation) or detach it from the precipitation domain (for a precipitation calculation) to prevent it from taking part in a calculation

REMOVE_PLOT
WORKSPACE group
Deletes the specified plot
Arguments: <plot ID>
Notes: Each plot has a unique ID number which can be found using LIST_ALL_PLOTS

REMOVE_PRECDOMAIN_INTERACTION
PRECIPITATION group
Not yet implemented, as of October 2005

REMOVE_PRECIPITATION_DOMAIN
PRECIPITATION group
Removes the specified precipitation domain
Arguments: <name of domain to be removed>

REMOVE_VARIABLE
CORE group
Removes the specified user-defined variable
Arguments: <name of variable>

RENAME_CALC_STATE
STATE group
Changes the name of the currently selected calculation state
Arguments: <new name for current calc state>
Notes: In the case of multiple calculation states, the state to be renamed must first be selected using SELECT_CALC_STATE

RENAME_CURRENT_BUFFER
BUFFER group
Changes the name of the currently selected buffer
Arguments: <new name for current buffer>
Notes: 1. The default option is to keep the existing name (press Enter) 2. In the case of multiple buffers, the buffer to be renamed must first be selected using SELECT_CALC_BUFFER

RESTART
CORE group
Deletes all data and restarts the calculation
Arguments: y, n
Notes: Prompts first with a warning

RUN_SCRIPT_FILE
WORKSPACE group
Runs a script file (a set of MatCalc commands saved in a text file)
Arguments: <name of script>
Notes: 1. The .mcs extension is optional; 2. The path need not be specified if the script file is in either the working directory or the /scripts subdirectory

SAVE_WORKSPACE
WORKSPACE group
Saves the current workspace
Arguments: <name of file>
Notes: 1. The .mcw extension is added automatically; 2. pressing <Enter> accepts existing file name; 3. the file is saved in the working directory unless a path is specified

SEARCH_PHASE_BOUNDARY
CORE group
Performs a boundary search calculation
Arguments: Type of boundary; sub-arguments
Notes: The sub-arguments are different depending on the type of boundary chosen.

SELECT_CALC_BUFFER
BUFFER group
Selects one of the available calculation buffers
Arguments: <name of buffer to be selected>

SELECT_CALC_STATE
STATE group
Selects one of the available calculation states
Arguments: <name of calculation state>

SELECT_ELEMENTS
CORE group
Selects the elements to use in the calculation from the thermodynamic database
Arguments: element names (separated by spaces)
Notes: Using this command a second time adds any new elements listed as arguments; existing ones remain selected.

SELECT_PHASES
CORE group
Selects the phases to use in the calculation from the thermodynamic database
Arguments: phase names (separated by spaces)
Notes: 1. Unambiguous abbreviations of phase names can be used; 2. Using this command a second time adds any new phase listed as arguments; existing ones remain selected.

SET_APPLICATION_DIRECTORY
IO group
Selects the root directory for the subdirectories /database, /DiffusionData etc.
Arguments: name of directory (press 'enter' to accept existing one)

SET_AUTOMATIC_STARTVALUES
CORE group
Initialises the calculation variables with reasonable values to facilitate the convergence of the calculation
No arguments
Notes: It is not always necessary to use this command, but it should be used when the calculation gives an error message or unlikely-looking results

SET_FUNCTION_EXPRESSION
CORE group
Defines a function and assigns an expression to it
Arguments: <name of function>; <expression>
Notes: The expression may be numerical or contain internal or user-defined variables or functions

SET_GUI_WINDOW_PROPERTY
WORKSPACE group
Modifies the format of display windows
Arguments: window number, or '.' for currently active window; a selection of sub-arguments depending on the window selected

SET_PLOT_OPTION
WORKSPACE group
Modifies the features of existing plots
Arguments: Plot ID; (t)itle/(a)xis/(l)egend/(h)istogram/(s)eries; sub-options depending on these

SET_PRECDOMAIN_INTERACTION
PRECIPITATION group
Not yet implemented, as of October 2005

SET_PRECIPITATION_PARAMETER
PRECIPITATION group
Sets up the precipitation system
Arguments: (c)#classes/(d)omain/s(h)ape factor/(i)nterfacial energy/interface mobi(l)ity/volumetric (m)isfit/(v)acancy annihilation rate/(n)ucleation/(p)recipitate distribution/(s)pecial options; many sub-arguments depending on option chosen
Notes: This is the command-line equivalent of the precipitation-related parts of the 'Phase status' dialogue box and the 'Precipitation domains' dialogue box

SET_PRESSURE
CORE group
Sets the pressure in Pa
Arguments: <pressure in Pa>
Notes: 1. Default value = 101023 Pa; 2. not all pressure-dependent features have yet been implemented

SET_REFERENCE_ELEMENT
CORE group
Sets the element whose composition is 1-(amounts of other specified elements)
Arguments: name of element
Notes: This is important in e. g. calculations of pseudobinary phase diagrams (see Tutorial 9 for an example)

SET_SIMULATION_PARAMETER
PRECIPITATION group
Sets up the parameters of a precipitation calculation (equiv of kinetic simulation dialogue)
Arguments: simulation end tim(e) or te(m)p/t(i)me step control/(t)emperature/tem(p) in °C/(c)onvergence control/(u)pdate every/sto(r)e every/(s)tarting conditions/(a)ppend to buffer; many sub-options depending on option selected
Notes: This is the command-line equivalent of the 'Precipitation simulation' dialogue box

SET_STEP_OPTION
CORE group
Sets up step-equilibrium calculations (including Scheil-Gulliver simulations)
Arguments: t(y)pe/(r)ange/(o)ptions/(e)lement/(t)emperature/(p)hase/tran(s)formations/T0-dep. ph(a)se/T0-pare(n)t-phase/ma(x)imum T-step/scheil: minimum (l)iquid fraction/(b)ack-diffusion
Notes: This is the command-line equivalent of the 'Step equilibrium' and 'Scheil simulation' dialogue boxes

SET_TEMPERATURE_CELSIUS
CORE group
Sets the temperature in Celsius
Arguments: temperature in °C
Notes: Default value = 1000°C

SET_TEMPERATURE_KELVIN
CORE group
Sets the temperature in Kelvin
Arguments: temperature in K
Notes: Default value = 1273.16 K

SET_TABLE_ENTRY
TABLES group
Modifies the y-value corresponding to an existing x-value, or inserts a new x-y pair in a position such that the entries in the table are sorted in order of increasing x-value
Arguments: <name of table>; x-value; y-value
Notes: compare ADD_TABLE_ENTRY which appends a new x-y pair to the end of the table

SET_TRANSFORMATION_OPTION
TRANSFORMATIONS group
Sets up the parameters of a transformation
Arguments: (a)ctive/(i)nactive/t(y)pe/(f)rom phase/(t)o phase/(e)quilib phase/temperature (r)ange/Avrami-(n)/Avrami(k)/Koistinen-(M)arburger-k/(g)lobal table/ma(x) phase fraction; many sub-arguments depending on options chosen

SET_TTP_PARAMETER
PRECIPITATION group
Sets up the parameters for TTP calculations
Arguments: (e)nd time/start (t)emperature/st(o)p temperature/tem(p) in °C/(c)alculation method/(d)elta T/(m)in T-dot/ma(x) T-dot/delta T-dot (f)actor/stop if (N) decreased to fraction; many sub-arguments depending on options chosen

SET_VARIABLE_VALUE
CORE group
Defines a variable and assigns a numerical value to it
Arguments: <name of variable>;<value>
Notes: The variable is a numerical value, which can be specified by entering a single value, a numerical expresion or an expression containing internal or user-defined variables. In the latter case, the current numerical value of the expression is evaluated and assigned to the variable.

SET_WORKING_DIRECTORY
IO group
Changes the working directory
Arguments: <name of directory> (enter to accept existing one)
Notes: The working directory is the one in which files are saved by default and is also the default path when opening files

SET_WORKSPACE_INFO
WORKSPACE group
Allows user to input information about the workspace (conditions, assumptions made in calculation, etc.)
Arguments: <information>, 'none' to clear existing information, prefix with '+' to append
Notes: '+' appends the subsequent argument to the end of any existing workspace information

SET_WORKSPACE_PROPERTY
WORKSPACE group
Two functions: 1. Sets a 'modified' flag so that the program considers the workspace file to have been changed and prompts the user to save it before exiting the program; 2. Shows or hides window ID numbers
Arguments: (m)odified/show w(i)ndow ID's

SHOW_EXPRESSION
CORE group
Evaluates an expression
Arguments: <Expression>
Notes: the expression may be entirely numerical or contain internal or user-defined variables or functions

START_GRID_SIMULATION
GRID_SIMULATION group
Not yet implemented

START_PRECIPITATE_SIMULATION
PRECIPITATION group
Starts a precipitation calculation
No arguments
Notes: 1. Uses the options defined by the user with SET_PRECIPITATION_PARAMETER and SET_SIMULATION_PARAMETER or, in the absence of these, default values; 2. diffusional and physical data must first be read in using READ_MOBILITY_DATABASE and READ_PHYSICAL_DATABASE

START_TTP_SIMULATION
PRECIPITATION group
Starts a TTP calculation
No arguments
Notes: 1. Uses the options defined by the user with SET_TTP_PARAMETER or, in the absence of these, default values; 2. diffusional and physical data must first be read in using READ_MOBILITY_DATABASE and READ_PHYSICAL_DATABASE

STEP_EQUILIBRIUM
CORE group
Starts a stepped equilibrium calculation
No arguments
Notes: Uses the options defined by the user with SET_STEP_OPTION or, in the absence of these, default values (T-step from 400 to 1600°C with 25-degree interval)

STOP_CURRENT_ACTION
CORE group
Aborts the current calculation
No arguments
Notes: Applicable for both equilibrium and precipitate calculations

STORE_CALC_STATE
STATE group
Stores the current equilibrium into the currently selected calculation state
No arguments

TEST_COMMAND
CORE group
Not yet implemented

UPDATE_GUI_WINDOWS
WORKSPACE group
Updates the data content of the selected display window
Arguments: window number, or '.' for currently active window
Notes: this is useful when the 'window update' feature has previously been frozen

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