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QuantumMisaka
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ATST-Tools
Advanced ASE Transition State Tools for ABACUS
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Update neb_make_pymatgen.py
#16
Luc1anoo
closed
4 months ago
3
"ERROR: The property "forces" is not available." raised by neb_make_pymatgen.py
#15
Luc1anoo
closed
4 months ago
4
WARNING: Total thread number on this node mismatches with hardware availability. This may cause poor performance.
#14
Luc1anoo
closed
5 months ago
2
Update the neb_make_pymatgen.py
#13
MoseyQAQ
closed
5 months ago
8
ASE Error: "Atoms object has no calculator."
#12
MoseyQAQ
closed
5 months ago
6
Problems with parallel execution of neb_run or autoneb_run
#11
kleflick
closed
5 months ago
5
ASE problem: unreasonable init_neb_chain.traj with oxygen vacancy diffusion simulation
#10
xdzhu
closed
5 months ago
1
Version 1.3.0
#9
QuantumMisaka
closed
8 months ago
1
Version 1.2.3
#8
QuantumMisaka
closed
9 months ago
0
parallel problem on SLURM system
#7
xdzhu
closed
8 months ago
4
Version 1.2.1
#6
QuantumMisaka
closed
9 months ago
1
Neb-dimer workflow
#5
QuantumMisaka
closed
10 months ago
0
How to perform the resumption in the ase-neb-abacus workflow?
#4
xdzhu
closed
9 months ago
2
V1.0 version
#3
QuantumMisaka
closed
10 months ago
0
Feature: Reconstruct and Decoupling of all code
#2
QuantumMisaka
closed
10 months ago
0
too close atoms in STRU generated by ase-neb-abacus
#1
xdzhu
closed
10 months ago
4