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OpenMM interface

enhancement

Status: Open.

#372 In MALBECC/lio;

· JonathanSemelak opened on Aug 1, 2025

MBIS charges computation

enhancement

Status: Open.

#371 In MALBECC/lio;

· JonathanSemelak opened on Jul 17, 2025

Implicit solvent

enhancement

Status: Open.

#370 In MALBECC/lio;

· JonathanSemelak opened on Jul 17, 2025

Amber-lio crashes with the new updates from Gonza

bug

urgent

Status: Open.

Bug

#369 In MALBECC/lio;

· diegoarmino opened on Jul 17, 2025

How to use the code and analyze the UV/VIS spectrum ?

Status: Open.

#359 In MALBECC/lio;

· c00jsw00 opened on Oct 14, 2020

Length of file names

enhancement

Status: Open.

#342 In MALBECC/lio;

· gonzalodm opened on Apr 28, 2020

Test!!

suggestions

Status: Open.

#337 In MALBECC/lio;

· Nick-Chaos opened on Mar 31, 2020

Setting precision

suggestions

Status: Open.

#334 In MALBECC/lio;

· fedepedron opened on Mar 3, 2020

Cleanup to-do list.

Status: Open.

#328 In MALBECC/lio;

· fedepedron opened on Feb 11, 2020

Manual Update for RC

Status: Open.

#267 In MALBECC/lio;

· ramirezfranciscof opened on Nov 26, 2018

Unknown d basis treatment

Status: Open.

#264 In MALBECC/lio;

· ramirezfranciscof opened on Nov 13, 2018

Integral refactoring

Status: Open.

#237 In MALBECC/lio;

· fedepedron opened on Jul 25, 2018