[
next
] [
prev
] [
prev-tail
] [
tail
] [
up
]
Chapter 3
How to Run
T
U
R
B
O
M
O
L
E
3.1
A ‘Quick and Dirty’ Tutorial
3.1.1
Single Point Calculations: Running
T
U
R
B
O
M
O
L
E
Modules
3.1.2
Energy and Gradient Calculations
3.1.3
Calculation of Molecular Properties
3.1.4
Modules and Data Flow
3.2
Parallel Runs
3.2.1
Running Parallel Jobs — MPI case
3.2.2
Running Parallel Jobs — SMP case
[
next
] [
prev
] [
prev-tail
] [
front
] [
up
]