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SHARC4 with ADF 2025.105

Status: Open.

#21 In sharc-md/sharc4;

· ShouryoGhose opened on Dec 26, 2025

Trajectory runtime optimization

Status: Open.

#18 In sharc-md/sharc4;

· Ernst-Ellis opened on Sep 11, 2025

Species–Column Mapping for Population Fitting in $SHARC/make_fit.py

Status: Open.

#17 In sharc-md/sharc4;

· anugraha-cp opened on Aug 22, 2025

SHARC4.0 Error: Subprocess Termination (Code 113)

Status: Open.

#16 In sharc-md/sharc4;

· kkyra99 opened on Aug 14, 2025

Choice of Excited State Representation and Excitation Type in Bromine-Containing Molecule

Status: Open.

#15 In sharc-md/sharc4;

· anugraha-cp opened on Aug 11, 2025

Discrepancies in Trajectory Analysis

Status: Open.

#13 In sharc-md/sharc4;

· kkyra99 opened on Aug 5, 2025

Reference overlap missing and internal coordinate analysis differs from SHARC 4.0 tutorial

Status: Open.

#12 In sharc-md/sharc4;

· anugraha-cp opened on Aug 5, 2025

error: QM call not successful while running the test job

Status: Open.

#8 In sharc-md/sharc4;

· sabari-nathan1 opened on Jul 10, 2025

Scratch directory with MOLCAS interface

Status: Open.

#7 In sharc-md/sharc4;

· AlfonsoAnnarelli opened on Jul 3, 2025

Adaptive training with SPaiNN error

Status: Open.

#5 In sharc-md/sharc4;

· zlx275 opened on Jun 24, 2025

not find dir "SHARC_FALLBACK/"

Status: Open.

#4 In sharc-md/sharc4;

· zlx275 opened on Jun 24, 2025

Error encountered while setting up dynamics simulations

Status: Open.

#3 In sharc-md/sharc4;

· shreya-C25 opened on Jun 18, 2025