dftd3_reference Module

Variables

Type	Visibility	Attributes		Name		Initial
integer,	public,	parameter	::	number_of_references(max_elem)	=	[2, 1, 2, 3, 5, 5, 4, 3, 2, 1, 2, 3, 4, 5, 4, 3, 2, 1, 2, 3, 3, 3, 3, 3, 3, 3, 4, 4, 2, 2, 4, 5, 4, 3, 2, 1, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 2, 4, 5, 4, 3, 2, 1, 2, 3, 3, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 2, 2, 4, 5, 4, 3, 2, 1, 2, 3, 7, 5, 7, 6, 7, 7, 6, 6, 5, 6, 7, 7, 6, 7, 7]
real(kind=wp),	public,	parameter	::	reference_cn(max_ref,max_elem)	=	reshape([+0.9118_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9865_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9808_wp, +1.9697_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9706_wp, +1.9441_wp, +2.9128_wp, +4.5856_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9868_wp, +1.9985_wp, +2.9987_wp, +3.9844_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9944_wp, +2.0143_wp, +2.9903_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9925_wp, +1.9887_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9982_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9684_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9628_wp, +1.9496_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9648_wp, +1.9311_wp, +2.9146_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9507_wp, +1.9435_wp, +2.9407_wp, +3.8677_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9947_wp, +2.0102_wp, +2.9859_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9948_wp, +1.9903_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9972_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9767_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9831_wp, +1.9349_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8627_wp, +2.8999_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8299_wp, +3.8675_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9138_wp, +2.9110_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8269_wp, 10.6191_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.6406_wp, +9.8849_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.6483_wp, +9.1376_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.7149_wp, +2.9263_wp, +7.7785_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.7937_wp, +6.5458_wp, +6.2918_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9576_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9419_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9601_wp, +1.9315_wp, +2.9233_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9434_wp, +1.9447_wp, +2.9186_wp, +3.8972_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9889_wp, +1.9793_wp, +2.9709_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9901_wp, +1.9812_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9974_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9738_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9801_wp, +1.9143_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9153_wp, +2.8903_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9355_wp, +3.9106_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9545_wp, +2.9225_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9420_wp, 11.0556_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.6682_wp, +9.5402_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8584_wp, +8.8895_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9003_wp, +2.9696_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8630_wp, +5.7095_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9679_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9539_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9633_wp, +1.9378_wp, +2.9353_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9514_wp, +1.9505_wp, +2.9259_wp, +3.9123_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9749_wp, +1.9523_wp, +2.9315_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9811_wp, +1.9639_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9968_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9909_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9797_wp, +1.8467_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9373_wp, +2.9175_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +2.7991_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9425_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9455_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9413_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9300_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8286_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.8732_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9086_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.8965_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9242_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9282_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9246_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.8482_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +2.9219_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9254_wp, +3.8840_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9459_wp, +2.8988_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9292_wp, 10.9153_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8104_wp, +9.8054_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8858_wp, +9.1527_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.8648_wp, +2.9424_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9188_wp, +6.6669_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9846_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +1.9896_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9267_wp, +1.9302_wp, +2.9420_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9383_wp, +1.9356_wp, +2.9081_wp, +3.9098_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9820_wp, +1.9655_wp, +2.9500_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9815_wp, +1.9639_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9954_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9705_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9661_wp, +1.9251_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9802_wp, +1.9445_wp, +2.9070_wp, +3.8174_wp, +4.6723_wp, +5.5599_wp, +0.0000_wp, +0.9847_wp, +1.9560_wp, +2.9302_wp, +3.8997_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9647_wp, +1.9079_wp, +2.9037_wp, +3.8711_wp, +4.9094_wp, +4.5318_wp, +0.0000_wp, +0.9766_wp, +2.8888_wp, +3.9129_wp, +4.1181_wp, +5.9187_wp, -1.0000_wp, +0.0000_wp, +0.9838_wp, +1.9499_wp, +2.9159_wp, +3.9358_wp, +4.9069_wp, +5.9005_wp, +0.0000_wp, +0.9537_wp, +1.9439_wp, +2.9323_wp, +3.9441_wp, +4.9192_wp, +5.8888_wp, +0.0000_wp, +0.9163_wp, +1.8563_wp, +2.8823_wp, +4.8005_wp, +5.7794_wp, -1.0000_wp, +0.0000_wp, +0.9762_wp, +1.9288_wp, +2.8929_wp, +3.8167_wp, +4.7478_wp, +5.6866_wp, +0.0000_wp, +0.9705_wp, +1.9511_wp, +2.9262_wp, +3.9342_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9581_wp, +1.9123_wp, +2.9327_wp, +3.9105_wp, +5.8285_wp, -1.0000_wp, +0.0000_wp, +0.9346_wp, +1.8816_wp, +2.9075_wp, +3.8705_wp, +4.8131_wp, +5.7244_wp, +0.0000_wp, +0.9500_wp, +1.9165_wp, +2.9377_wp, +3.8956_wp, +4.8540_wp, +5.8160_wp, +0.0000_wp, +0.9710_wp, +1.9564_wp, +2.9515_wp, +3.9353_wp, -1.0000_wp, -1.0000_wp, +0.0000_wp, +0.9722_wp, +1.9605_wp, +2.9452_wp, +3.9296_wp, +4.2582_wp, +4.5511_wp, +0.0000_wp, +0.9569_wp, +1.9215_wp, +2.8958_wp, +3.7644_wp, +4.6808_wp, +5.5939_wp], [max_ref, max_elem])

Functions

public elemental function get_c6(iref, jref, ati, atj) result(c6)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	iref
integer,	intent(in)			::	jref
integer,	intent(in)			::	ati
integer,	intent(in)			::	atj

Return Value real(kind=wp)

Subroutines

public pure subroutine copy_c6(c6ab)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=wp),	intent(out),		allocatable, target	::	c6ab(:,:,:)

public subroutine init_reference_c6()

Arguments

None

public subroutine print_c6(iunit)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	iunit