Search results

Make # Charge_Style a required keyword

Status: Open.

#150 In MaginnGroup/Cassandra;

· emarinri opened on Nov 30, 2023

Chemical potential of ring molecules is not consistent

Type: Bug

Status: Open.

#149 In MaginnGroup/Cassandra;

· skvaraj2 opened on Sep 30, 2023

Incomplete accounting for fragment energy in CBMC moves

Energy evaluation

Moves

Type: Bug

Status: Open.

#148 In MaginnGroup/Cassandra;

· rwsmith7531 opened on Sep 29, 2023

Settings of GEMC-NVT simulation of water, hard to reach eqilibrium

Status: Open.

#143 In MaginnGroup/Cassandra;

· qqlovekerry opened on Jul 31, 2023

How to calculate the chemical potential of water at different temperatures?

Status: Open.

#142 In MaginnGroup/Cassandra;

· qqlovekerry opened on Jul 18, 2023

Error about dep.mk during compilation with make

Status: Open.

#132 In MaginnGroup/Cassandra;

· qqlovekerry opened on Sep 24, 2022

Validate log volume moves implementation

Status: Open.

#130 In MaginnGroup/Cassandra;

· emarinri opened on Aug 2, 2022

Include single point energies calculations from LAMMPS or other MD code as unit tests

Status: Open.

#117 In MaginnGroup/Cassandra;

· emarinri opened on May 31, 2022

Create tests for mcfgen.py

Status: Open.

#115 In MaginnGroup/Cassandra;

· emarinri opened on May 3, 2022

Improve ring identification in mcfgen.py

Status: Open.

#114 In MaginnGroup/Cassandra;

· emarinri opened on Apr 30, 2022

Number of k-vectors is not consistent between orthogonal and cubic boxes

Status: Open.

#111 In MaginnGroup/Cassandra;

· emarinri opened on Feb 10, 2022

Minimium image distance in a triclinic box

Priority: High

Status: Open.

#110 In MaginnGroup/Cassandra;

· ryangmullen opened on Nov 30, 2021