Issues

• Slight Discrepancies when Reproducing Ti HCP/BCC Transition

  ICAMS/calphy#277 · Filter by author if3598 opened on Aug 7, 2026
  1

• lattice_constant does not accept list of floats in calculations section

  ICAMS/calphy#276 · Filter by author if3598 opened on Aug 3, 2026
  1

• Is it possible to have an implementation of Calphy in ASE instead of lammps?

  ICAMS/calphy#256 · Filter by author abk065 opened on Jun 24, 2026
  4

• How to bypass automated NPT equilibration and enforce fixed-volume sampling for TI

  ICAMS/calphy#238 · Filter by author stargolike opened on Mar 30, 2026
  2

• What happens with pV during mode=ts when lattice is kept fixed?

  ICAMS/calphy#236 · Filter by author pmrv opened on Mar 19, 2026
  2

• Setting atom_style charge

  ICAMS/calphy#190 · Filter by author rajorshichat opened on Oct 1, 2025
  1

• Aggregate all results into yaml file

  ICAMS/calphy#186 · Filter by author srmnitc opened on Sep 22, 2025
  4

• Composition scaling should take two structures

  ICAMS/calphy#184 · Filter by author srmnitc opened on Sep 12, 2025

• Regarding System Melted error and Unable to use NVT ensemble

  ICAMS/calphy#179 · Filter by author 1997sankha opened on Aug 24, 2025
  2

• Need support for newton off requirement when using pair_style nequip

  ICAMS/calphy#176 · Filter by author ChengQIAN93 opened on Jul 15, 2025
  6

• Parallel exectution problem

  ICAMS/calphy#164 · Filter by author wftao1995 opened on Dec 27, 2024
  1

• Feature proposal: automated workflow for temperature induced solid-solid transition

  ICAMS/calphy#143 · Filter by author stefanhiemer opened on Aug 14, 2024
  10

• Tscale doesn't agree with reversible scaling method?

  ICAMS/calphy#133 · Filter by author ireaml opened on Jun 18, 2024
  3

• Add a debug module

  enhancement
  ICAMS/calphy#131 · Filter by author srmnitc opened on May 20, 2024

• Implementations to update

  ICAMS/calphy#102 · Filter by author srmnitc opened on Jan 19, 2024

• Update solid-liquid distinction

  ICAMS/calphy#94 · Filter by author srmnitc opened on Nov 4, 2023
  1

• Implement Langevin for equilibration

  ICAMS/calphy#93 · Filter by author srmnitc opened on Oct 30, 2023

• applicability of hybrid/scaled born potential for calphy

  ICAMS/calphy#73 · Filter by author kazushige-hyodo opened on May 16, 2023
  2