cp_units.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Data Types
type	cp_units::cp_unit_type
	stores a unit More...
type	cp_units::cp_unit_set_type
	stores the default units to be used More...

Modules
module	cp_units
	unit conversion facility

Functions/Subroutines
subroutine, public	cp_units::cp_unit_create (unit, string)
	creates a unit parsing a string
elemental subroutine, public	cp_units::cp_unit_release (unit)
	releases the given unit
character(len=cp_unit_desc_length) function, public	cp_units::cp_unit_desc (unit, defaults, accept_undefined)
	returns the "name" of the given unit
real(kind=dp) function, public	cp_units::cp_unit_to_cp2k1 (value, unit, defaults, power)
	transform a value to the internal cp2k units
real(kind=dp) function, public	cp_units::cp_unit_from_cp2k1 (value, unit, defaults, power)
	converts from the internal cp2k units to the given unit
real(kind=dp) function, public	cp_units::cp_unit_to_cp2k (value, unit_str, defaults, power)
	converts to the internal cp2k units to the given unit
real(kind=dp) function, public	cp_units::cp_unit_from_cp2k (value, unit_str, defaults, power)
	converts from the internal cp2k units to the given unit
logical function, public	cp_units::cp_unit_compatible (ref_unit, unit)
	returs true if the two units are compatible
subroutine, public	cp_units::cp_unit_set_create (unit_set, name)
	initializes the given unit set
subroutine, public	cp_units::cp_unit_set_release (unit_set)
	releases the given unit set
subroutine, public	cp_units::print_all_units (unit_nr)
	Prints info on all available units in CP2K.

Variables
integer, parameter, public	cp_units::cp_ukind_none = 0
integer, parameter, public	cp_units::cp_ukind_energy = 1
integer, parameter, public	cp_units::cp_ukind_length = 2
integer, parameter, public	cp_units::cp_ukind_temperature = 3
integer, parameter, public	cp_units::cp_ukind_angle = 4
integer, parameter, public	cp_units::cp_ukind_pressure = 5
integer, parameter, public	cp_units::cp_ukind_time = 6
integer, parameter, public	cp_units::cp_ukind_mass = 7
integer, parameter, public	cp_units::cp_ukind_undef = 8
integer, parameter, public	cp_units::cp_ukind_potential = 9
integer, parameter, public	cp_units::cp_ukind_force = 10
integer, parameter, public	cp_units::cp_ukind_max = 10
integer, parameter, public	cp_units::cp_units_none = 100
integer, parameter, public	cp_units::cp_units_au = 101
integer, parameter, public	cp_units::cp_units_m_e = 110
integer, parameter, public	cp_units::cp_units_amu = 111
integer, parameter, public	cp_units::cp_units_kg = 112
integer, parameter, public	cp_units::cp_units_hartree = 130
integer, parameter, public	cp_units::cp_units_wavenum = 131
integer, parameter, public	cp_units::cp_units_joule = 132
integer, parameter, public	cp_units::cp_units_kcalmol = 133
integer, parameter, public	cp_units::cp_units_ry = 134
integer, parameter, public	cp_units::cp_units_ev = 135
integer, parameter, public	cp_units::cp_units_kjmol = 136
integer, parameter, public	cp_units::cp_units_jmol = 137
integer, parameter, public	cp_units::cp_units_kev = 138
integer, parameter, public	cp_units::cp_units_bohr = 140
integer, parameter, public	cp_units::cp_units_angstrom = 141
integer, parameter, public	cp_units::cp_units_m = 142
integer, parameter, public	cp_units::cp_units_pm = 143
integer, parameter, public	cp_units::cp_units_nm = 144
integer, parameter, public	cp_units::cp_units_k = 150
integer, parameter, public	cp_units::cp_units_bar = 161
integer, parameter, public	cp_units::cp_units_atm = 162
integer, parameter, public	cp_units::cp_units_kbar = 163
integer, parameter, public	cp_units::cp_units_pa = 164
integer, parameter, public	cp_units::cp_units_mpa = 165
integer, parameter, public	cp_units::cp_units_gpa = 166
integer, parameter, public	cp_units::cp_units_rad = 170
integer, parameter, public	cp_units::cp_units_deg = 171
integer, parameter, public	cp_units::cp_units_fs = 180
integer, parameter, public	cp_units::cp_units_s = 181
integer, parameter, public	cp_units::cp_units_wn = 182
integer, parameter, public	cp_units::cp_units_ps = 183
integer, parameter, public	cp_units::cp_units_volt = 190
integer, parameter, public	cp_units::cp_units_newton = 200
integer, parameter, public	cp_units::cp_units_mnewton = 201
integer, parameter, public	cp_units::cp_unit_max_kinds = 8
integer, parameter, public	cp_units::cp_unit_basic_desc_length = 15
integer, parameter, public	cp_units::cp_unit_desc_length = cp_unit_max_kinds*cp_unit_basic_desc_length