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Inquiry about Parameter Settings for H2O Phase Diagram Calculations in Calphy

questionFurther information is requestedFurther information is requested

Status: Open.

#192 In ICAMS/calphy;

· stargolike opened on Nov 4, 2025

Setting atom_style charge

Status: Open.

#190 In ICAMS/calphy;

· rajorshichat opened on Oct 1, 2025

Creation of liquid structure

Status: Open.

#189 In ICAMS/calphy;

· srmnitc opened on Oct 1, 2025

version 1.5

Status: Open.

#187 In ICAMS/calphy;

· srmnitc opened on Sep 22, 2025

Aggregate all results into yaml file

Status: Open.

#186 In ICAMS/calphy;

· srmnitc opened on Sep 22, 2025

Composition scaling should take two structures

Status: Open.

#184 In ICAMS/calphy;

· srmnitc opened on Sep 12, 2025

Regarding System Melted error and Unable to use NVT ensemble

Status: Open.

#179 In ICAMS/calphy;

· 1997sankha opened on Aug 24, 2025

Need support for newton off requirement when using pair_style nequip

Status: Open.

#176 In ICAMS/calphy;

· ChengQIAN93 opened on Jul 15, 2025

Parallel exectution problem

Status: Open.

#164 In ICAMS/calphy;

· wftao1995 opened on Dec 27, 2024

triclinic crystal system

enhancementNew feature or requestNew feature or request

Status: Open.

#162 In ICAMS/calphy;

· chtchelkatchev opened on Nov 25, 2024

List of pair_coeff not read

enhancementNew feature or requestNew feature or request

Status: Open.

#158 In ICAMS/calphy;

· UnaiAizpu opened on Oct 18, 2024

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

Status: Open.

#143 In ICAMS/calphy;

· stefanhiemer opened on Aug 14, 2024