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Contents
MOLPRO Programming Manual
Version 2000.1
January 10, 2000
This manual contains notes which are designed to help those involved in code development within the
MOLPRO
program system.
Contents
1 MOLPRO developers' kit
2 Conditional code and the fortran preprocessor
3 Utilities for input parameter processing
4 Dynamic memory management
5 Linear algebra subroutines
6 Input/Output routines
7 Reading and writing dump records
8 Utilities to read and write one-electron operators
9 AO integral interface
10 Density Functionals -- User Interface
11 Integration grids
12 Interfacing a new module in MOLPRO
13 Building patch files
14 Parallel programming: MPP architectures
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Jan 10, 2000