CHAINS
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THE BASICS
1. What you need to know
2. CHAINS’ Workflow
3. Plan of the documentation
ABIN LAUNCHER
1. Overview
2. Scanning the geometry file
3. Job scaling
4. Rendering the templates
5. Other important files
6. Sample run
7. Benchmarking tool
CONTROL LAUNCHER
1. Overview
2. System modelling
3. Determining the transitions
4. Job scaling
5. Rendering the templates
6. Other important files
7. Sample run
CHAINS
1. Abin Launcher profiles
2. Control Launcher profile
3. Results Treatment
4. Linking the scripts
CHAINS
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Index
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Index
A
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C
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J
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M
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Q
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T
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X
A
AbinError (class in abin_errors)
C
check_abspath() (in module abin_errors)
J
jinja_render() (in module control_renderer)
(in module renderer)
M
message (abin_errors.AbinError attribute)
Q
qchem_tddft() (in module modelling_fcts)
T
total_nb_atoms() (in module scaling_fcts)
total_nb_elec() (in module scaling_fcts)
X
xyz_scan() (in module geom_scan)