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Simulation not running at all due to a KeyError in library_setup.py

Status: Open.

#110 In MaginnGroup/mosdef_cassandra;

· Pablo-Pomares opened on Apr 5, 2024

Allow the user to specify the number of fragments in a library.

enhancementNew feature or requestNew feature or request

Status: Open.

#106 In MaginnGroup/mosdef_cassandra;

· emarinri opened on May 12, 2022

Add support for Widom insertions

Status: Open.

#100 In MaginnGroup/mosdef_cassandra;

· rwsmith7531 opened on Jun 29, 2021

Make mixing_rule a required argument for mc.run

Status: Open.

#99 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on May 19, 2021

Serialize system/moveset?

Status: Open.

#98 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on May 5, 2021

Add load_final_frame to analysis module to facilitate MC-MD workflows

Status: Open.

#97 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on May 5, 2021

List index out of range error in angle_style

Status: Open.

#76 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on Aug 20, 2020

·  

0.4.0 Release

Add default values to print_valid_kwargs()

Status: Open.

#69 In MaginnGroup/mosdef_cassandra;

· rmatsum836 opened on Jun 1, 2020

·  

0.4.0 Release

Add unyt support to custom mixing rules

Status: Open.

#64 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on May 21, 2020

·  

0.4.0 Release

Prevent additional attributes from being added to system/moves

enhancementNew feature or requestNew feature or request

Status: Open.

#58 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on May 16, 2020

Consider changes to System and Moves argument specification

discussion

Status: Open.

#49 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on Apr 8, 2020

Convert format strings to fstrings

enhancementNew feature or requestNew feature or request

Status: Open.

#35 In MaginnGroup/mosdef_cassandra;

· rsdefever opened on Mar 18, 2020