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calphy
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calphy package
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calphy
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calphy
¶
calphy
Dependencies
Optional
Installation
Notes on the LAMMPS installation
Documentation
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Documentation
pytint
input file
main keys
calculation
block
md
block
queue
block
conv
block
Running
calphy
Examples
¶
Examples
Example 01: Calculation of free energy
Example 02: Phase transformation in Fe
Example 03: Calculation of Cu melting temperature
Example 04: Pressure-temperature phase diagram of Cu
API reference
¶
calphy package
Submodules
calphy.alchemy module
calphy.helpers module
calphy.input module
calphy.integrators module
calphy.kernel module
calphy.lattice module
calphy.liquid module
calphy.queuekernel module
calphy.scheduler module
calphy.solid module
calphy.splines module
Module contents
Indices and tables
¶
Index
Module Index
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