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Searched refs:valekin (Results 1 – 6 of 6) sorted by relevance

/dports/science/atompaw/atompaw-4.1.1.0/src/
H A Datomdata.F9072 REAL(8) :: valekin,valecoul,valeexc,corekin,evale ! used in frozencore only component
277 SCF%valekin=0.d0;SCF%valecoul=0.d0;SCF%valeexc=0.d0
296 CSCF%valekin=SSCF%valekin
H A Dreport_mod.F90135 WRITE(IF,*) ' Kinetic energy contribution:',SCF%valekin
139 SCF%evale=SCF%valekin+SCF%valecoul+SCF%valeexc
H A Dhf_mod.F90502 SCFloc%valekin=0; SCFloc%valecoul=0; SCFloc%valeexc=0; SCFloc%evale=0
563 SCFloc%valekin=SCFloc%valekin+Orbit%occ(io)*y
588 SCFloc%evale=SCFloc%valekin+SCFloc%valecoul+SCFloc%valeexc
606 SCF%valekin=0; SCF%valecoul=0; SCF%valeexc=0; SCF%evale=0
692 SCFloc%valekin=0; SCFloc%valecoul=0; SCFloc%valeexc=0; SCFloc%evale=0
755 SCFloc%valekin=SCFloc%valekin+Orbit%occ(io)*y
782 SCFloc%evale=SCFloc%valekin+SCFloc%valecoul+SCFloc%valeexc
1078 norbit=Orbit%norbit; SCF%valekin=0
1083 SCF%valekin=SCF%valekin+Orbit%occ(io)*y
H A Dldagga_mod.F90268 SCF%evale=SCF%valekin+SCF%valecoul+SCF%valeexc
H A Dgeneral_mod.F90392 SCF%valekin=tv
396 Write(STD_OUT,*) 'Core kin ', SCF%corekin,' Vale kin ', SCF%valekin
H A Dexx_mod.F901083 SCF%evale=SCF%valekin+SCF%valecoul+SCF%valeexc