Utilities

Abstract

This reference describes utility programs included with AMPAC.

Table of Contents

acubegen — Write a cube file from an AMPAC .vis file.
afreqgen — Generate vibrational frequency information from an AMPAC .vis file.
ampac — Execute AMPAC input files.
arc2dat — Produce .dat file from .arc file.
catcsm — Convert .csm file to a plain text format.
check_env.sh — Diagnostic script to check if AMPAC is set up correctly.
config_ampac.sh — Set operating system-specific configuration options.
dump_util — Automatically convert AMPAC binary files (.vis and .csm) to corresponding plain text files.
haltampac — Bring AMPAC jobs to a controlled stop.
keycleaner — Reformat AMPAC license key file or print license information.
mampac — Sequentially execute multiple input files.
rm_ampac_results — Remove various result files produced by AMPAC.
Set_File_Protection.sh — Set correct file permissions on all AMPAC files.
visdump — Convert .vis file to a plain text format.
xglinfo.exe — Dump extended information about GL properties.

acubegen

Write a cube file from an AMPAC .vis file.

afreqgen

Generate vibrational frequency information from an AMPAC .vis file.

ampac

Execute AMPAC input files.

arc2dat

Produce .dat file from .arc file.

catcsm

Convert .csm file to a plain text format.

check_env.sh

Diagnostic script to check if AMPAC is set up correctly.

config_ampac.sh

Set operating system-specific configuration options.

dump_util

Automatically convert AMPAC binary files (.vis and .csm) to corresponding plain text files.

haltampac

Bring AMPAC jobs to a controlled stop.

keycleaner

Reformat AMPAC license key file.

mampac

Sequentially execute multiple input files.

rm_ampac_results

Remove various result files produced by AMPAC.

Set_File_Protection.sh

Set correct file permissions on all AMPAC files.

visdump

Convert .vis file to a plain text format.

xglinfo.exe

Dump extended information about GL properties.