Units๏ƒ

The units used by MDANSE are nm for length and ps for time, and their inverses for Q (nm-1) and angular frequencies, \(\omega\) (ps-1). It is possible to change the preferred units in the plotter interface, and to output results as text files from the plotter using the values after unit conversion. The original output file (typically an HDF5 file with an MDA extension) is written using the original standard units.

The list of prefixes to physical quantities is listed in Table 1. The leftmost column is what can be written in front of the symbol of a physical quantity.

Table 1: A list of prefixes that can be used to modify units.

Symbol

Name

Value

y

yocto

1e-24

z

zepto

1e-21

a

atto

1e-18

f

femto

1e-15

p

pico

1e-12

n

nano

1e-9

u

micro

1e-6

m

mili

1e-3

c

centi

1e-2

d

deci

1e-1

da

deca

1e1

h

hecto

1e2

k

kilo

1e3

M

mega

1e6

G

giga

1e9

T

tera

1e12

P

peta

1e15

E

exa

1e18

Z

zetta

1e21

Y

yotta

1e24

All these prefixes can be used with any of the units from Table 2. All these units can also be accessed through the Units Editor.

Table 2: A list of all units that can be used in MDANSE.

Symbol

Unit

Value in SI units

Physical quantity

au

atomic unit

0

m

meter

1 m

length

ang

Angstrom

1 * 10-10 m

Bohr

Bohr radius

5.2917721 * 10-11 m

ft

foot

0.3048 m

inch

inch

0.0254 m

b

Barn

1 * 10-28 m2

surface

l

litre

1 * 10-3 m3

volume

s

second

1 s

time

year

year

3 1,556,925.9747 s

day

day

86400 s

h

hour

3600 s

min

minute

60 s

kg

kilogram

1 kg

mass

g

gram

1 * 10-3 kg

Da

Dalton (mass)

1.660,540,2 * 10-27 kg

mol

mole

1 mol

amount of mass

J

Joule

1 kg m2 s-2

energy

eV

electron volt

1.602,176,49 * 10-19 kg m2 s-2

cal

calorie

4.184 kg m2 s-2

cal_per_mole

calorie per mole

4.184 kg m2 s-2 mol-1

J_per_mole

Joule per mole

1 kg m2 s-2 mol-1

Ha

Hartree

4.359,743,94 * 10-18 kg m2 s-2

K

Kelvin

1 K

temperature

N

Newton

1 kg m s-2

force

Pa

Pascal

1 kg m-1 s-2

pressure

W

Watt

1 kg m2 s-3

power

Hz

Hertz

1 s-1

frequency

A

Ampere

1 A

electric current

C

Coulomb

1 A s

charge

V

Volt

1 kg m2 s-3 A-1

voltage

F

Farad

1 s4 A2 kg-1 m-2

capacitance

ohm

Ohm

1 kg m2 s-3 A-2

resistance

S

Siemens

1 s3 A2 kg-1 m-2

conductance

Wb

Weber

1 kg m2 s-2 A-1

magnetic flux

T

Tesla

1 kg s-2 A-1

flux density

H

Henry

1 kg m2 s-2 A-2

inductance

cd

Candela

1 cd

luminous intensity

lm

Lumen

1 cd sr

luminous flux

lux

lux

1 cd sr m-2

illuminance

Bq

Becquerel

1 s-1

radioactivity

Gy

gray

1 m2 s-2

ionising radiation

kat

Katal

1 mol s-1

catalytic activity

dpi

inches in meter

39.370, 078,740,157,48 m-1

gravity

gravitational constant

9.80665 m s-2

acceleration

c

speed of light

2.997,924,58 * 108 m s-1

velocity

rad

radian

1 rad

angle

cyc

cycle

6.283,1 85,307,179,586 rad

sr

steradian

1 sr

solid angle

inv_nm

inverse nm

1 * 109 m-1

Inverse length

akma_time

AKMA time

20.454, 829,497,745,98 * 10-12 s

time