Next:
Compiling and testing
Up:
ATSP2K manual
Previous:
Preface
Contents
Preface
Compiling and testing
Downloading and compiling the source code
MPI installation on Linux
MPI installation on IBM/SP
Testing the installation
Serial
Wave function files and
LS
Eigenvectors
LS
transitions
LSJ
Energies
LSJ
Transitions
Forbidden Transitions
MPI tests
Linux cluster.
IBM/SP:
Computing Atomic Transitions
Introduction
Generating Configuration State Functions
Optimization
Computing the wave functions using
MCHF
Computing
LS
transitions
Breit-Pauli calculations
Computing Allowed Transitions
Computing Forbidden Transition
Parallel
atsp2K
Parallel
atsp2K
on IBM/SP
The MCDHF/MCHF Data Collection
Introduction
Atomic data
Goals
Methods
Results
Computational Methods
Hartree-Fock Program
NONH
Introduction
Program Structure
MPI version
I/O Files
Parallel routines
MCHF
Introduction
Program Structure
Data initialization
SCF
procedure
Diagonalization
Dynamic memory management
I/O files
MPI version
Introduction
MPI I/O
BP_ANG
Introduction
Program Structure
File IO
MPI implementation bp_ang_mpi
BP_MAT
Introduction
bp_mat
Program Structure
I/O Files
MPI implementation
BP_EIV
Introduction
Program Structure
Energy corrections
MPI Implementation
BIOTR
Introduction
Program Structure
File IO
HFS
Introduction
hfs
Program Structure
Input data
File IO
ISO
Introduction
Program Structure
I/O File Formats
TRANS
Introduction
Program Structure
Input data
I/O File Formats
Utility programs
Introduction
comp
condens
hf
levels
lines
lsgen and lsgenf
lsreduce
plotw
printw
relabel
gtables
w_format and w_unformat
tables
Data analysis
Introduction
Program description
IO Files
Useful scripts
I/O File Formats
Serial
nonh, mchf
.
Parallel
mpi_nonh, mpi_mchf
.
bp_ang, bp_mat, bp_eiv
Parallel
mpi_nonh, mpi_mchf
.
biotr
About this document ...
2001-10-11