Searched refs:hatshape (Results 1 – 4 of 4) sorted by relevance
/dports/science/atompaw/atompaw-4.1.1.0/src/ |
H A D | pseudodata.F90 | 31 REAL(8), POINTER :: projshape(:),hatshape(:),hatden(:),hatpot(:) component 95 PAW%hatshape=0.d0;PAW%vloc=0.d0;PAW%rveff=0.d0 149 If (ASSOCIATED(PAW%hatshape)) DEALLOCATE(PAW%hatshape)
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H A D | atompaw_report.F90 | 379 WRITE(ifatompaw,'(1p,3e25.17)') (PAW%hatshape(i),i=1,PAW%mesh_size) 813 WRITE(ifatompaw,'(1p,3e25.17)') (PAW%hatshape(i),i=1,PAW%mesh_size)
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H A D | pseudo.F90 | 745 PAW%hatshape=0 747 PAW%hatshape(1)=1 755 PAW%hatshape(i)=EXP(-(r(i)/d)**2) 764 PAW%hatshape(i)=al(1)*jbes1+al(2)*jbes2 768 PAW%hatshape(i)=(SIN(pi*r(i)/rc_shap)/(pi*r(i)/rc_shap))**2 771 PAW%hatden(1:irc)=PAW%hatshape(1:irc)*(r(1:irc)**2)
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H A D | exx_pseudo.F90 | 498 rho(:)=(r(:)**(k+2))*PAW%hatshape(:)
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