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Add Voronota SASA energy term

enhancement 💪

Status: Open.

#457 In mlund/faunus;

· mlund opened on Oct 21, 2024

Add polymer background energy term

enhancement 💪

Status: Open.

#453 In mlund/faunus;

· mlund opened on Jul 8, 2024

Force calculation for Ewald summation scheme

enhancement 💪

Status: Open.

#284 In mlund/faunus;

· mlund opened on Jun 9, 2020

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future revision

MoleculeInserter implementations

Status: Open.

#270 In mlund/faunus;

· rc83 opened on Apr 23, 2020

Atomic groups much faster than molecular group

enhancement 💪

Status: Open.

#260 In mlund/faunus;

· mlund opened on Feb 28, 2020

Resurrect Nonrejective Cluster Move

code quality ⚙️Code refactoring / restructuringCode refactoring / restructuring

enhancement 💪

Status: Open.

#256 In mlund/faunus;

· mlund opened on Feb 20, 2020

Add particle form factor for scattering analysis

enhancement 💪

Status: Open.

#222 In mlund/faunus;

· mlund opened on Nov 19, 2019

·  

future revision

Improve analysis (rerun, on the fly output)

enhancement 💪

Status: Open.

#196 In mlund/faunus;

· rc83 opened on Oct 3, 2019

·  

future revision

Checkpoint file to restart after crash

enhancement 💪

Status: Open.

#191 In mlund/faunus;

· rc83 opened on Sep 19, 2019

·  

future revision

Mutating elements

enhancement 💪

Status: Open.

#179 In mlund/faunus;

· rc83 opened on Jul 25, 2019

Cell list integration to the nonbonded potential computation

Status: Open.

#176 In mlund/faunus;

· rc83 opened on Jul 22, 2019

·  

future revision

GPU implementation

enhancement 💪

Status: Open.

#166 In mlund/faunus;

· mlund opened on Jul 10, 2019

·  

future revision