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Data Fields
virial_types::virial_type Type Reference

Data Fields

real(kind=dp), dimension(3, 3) pv_total = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_kinetic = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_virial = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_xc = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_fock_4c = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_constraint = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_overlap = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_ekinetic = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_ppl = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_ppnl = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_ecore_overlap = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_ehartree = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_exc = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_exx = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_vdw = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_mp2 = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_nlcc = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_gapw = 0.0_dp
 
real(kind=dp), dimension(3, 3) pv_lrigpw = 0.0_dp
 
logical pv_availability = .FALSE.
 
logical pv_calculate = .FALSE.
 
logical pv_numer = .FALSE.
 
logical pv_diagonal = .FALSE.
 

Detailed Description

Definition at line 26 of file virial_types.F.

Field Documentation

◆ pv_total

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_total = 0.0_dp

Definition at line 27 of file virial_types.F.

◆ pv_kinetic

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_kinetic = 0.0_dp

Definition at line 27 of file virial_types.F.

◆ pv_virial

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_virial = 0.0_dp

Definition at line 27 of file virial_types.F.

◆ pv_xc

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_xc = 0.0_dp

Definition at line 27 of file virial_types.F.

◆ pv_fock_4c

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_fock_4c = 0.0_dp

Definition at line 27 of file virial_types.F.

◆ pv_constraint

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_constraint = 0.0_dp

Definition at line 27 of file virial_types.F.

◆ pv_overlap

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_overlap = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_ekinetic

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_ekinetic = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_ppl

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_ppl = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_ppnl

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_ppnl = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_ecore_overlap

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_ecore_overlap = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_ehartree

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_ehartree = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_exc

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_exc = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_exx

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_exx = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_vdw

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_vdw = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_mp2

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_mp2 = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_nlcc

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_nlcc = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_gapw

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_gapw = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_lrigpw

real(kind=dp), dimension(3, 3) virial_types::virial_type::pv_lrigpw = 0.0_dp

Definition at line 33 of file virial_types.F.

◆ pv_availability

logical virial_types::virial_type::pv_availability = .FALSE.

Definition at line 46 of file virial_types.F.

◆ pv_calculate

logical virial_types::virial_type::pv_calculate = .FALSE.

Definition at line 46 of file virial_types.F.

◆ pv_numer

logical virial_types::virial_type::pv_numer = .FALSE.

Definition at line 46 of file virial_types.F.

◆ pv_diagonal

logical virial_types::virial_type::pv_diagonal = .FALSE.

Definition at line 46 of file virial_types.F.

The documentation for this type was generated from the following file: