From 8ebb0c3c295987090e0a4c1a51efe53e81edede9 Mon Sep 17 00:00:00 2001 From: "Gernot J. Kraberger" Date: Tue, 27 Feb 2018 19:53:43 +0100 Subject: [PATCH] BlockStructure: finally make the test work --- test/blockstructure.in.h5 | Bin 61120 -> 66104 bytes test/blockstructure.py | 3 ++- 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/test/blockstructure.in.h5 b/test/blockstructure.in.h5 index dccb8ef0985aa13ec53d6cfcc808ec552f796e1c..6e1bb46905cf3496c64e184258c9168afef997b8 100644 GIT binary patch delta 3039 zcmZ`*e@qis9KUx(xK}G4Y7j62nh14nv21f;E+#Cx$cVwREv6wx`2zu&!zO02VSi8( zlM&;z^&1o7Uo~p%Kuym&Z32sjldKYE2u@cuj2fBNBBr=G*_?6j$KCbXY%jTY@ALir zeee5ycj|;Cav;ZNw^WNrS+m@>Ax97d7m$ezM4nvo=vX9cGvAWM&+#kEpvjhlb%lBG zg{{m$xdbhPkS(W6=jRav*yKRU!jxxrXeF2iq3h4j!Zw2Gqw^PJ;e3J#ZM`9|FiSut zm>Sg$6lCE=it+;a)xmI+>_I0YBBY9?aD1_xL)PI`agfn`<5D=V+?mU0tC}qI?Of9) zQh8^$6js*`F3CB5=2#S%U(S-9swO3xX*JuN5~9`&s5D&iu7)Xx{RXy|Zg*m+LF{3Up< z@`WxJ(6D-q(`z)jNSrTpxwwV}7ONmQIeVi}dmvNLH_dTqhQHhRONczrl#6RvnDZ;! zpk|2#j)OrYD@qG;yU(?Q>~)ajr-NJsPD{T-A;`;HEi ze3cnz$P>;yCT-Y*BmI~h-fZ7e@b*g}_ZJ}vR`-`73?Gx(N;zmgboVbsHa0H+h0yca zybxx|T4w74s5)DQ7D2<=N^x!hZ4E_D{O99WzXsp*XSCl13#x^C!z&86A3WChY5mqs zh~!BdpAOeazfuZ5SrW@nD@r~xDY>Xp4poBCydvBbwmIBC6Fk4Wbe!LOcqIl@RGZ(R~j7Ue#hv zw*tIT*CIMDz=(S-`cCO96h&VMl7~7oS2&%` z{=px>c?Dy`7deOk>VbY(C(d0`l=sMGWVVtj#z-YrTCouxl#Gnpkg+cjRW~G755wI}Yo%zW0SU!n=-N_{E1cN4 zv7l=B9oSy?E)HBbJ6A_JGOAG&qR@D%qojA3GxS4NH5~uZIOH^mmI{_`m<=a1ls4Qp zN(?t|NjH!%lIg;(;aWW=&K88*S#lb#jcNCkHLVGqef8iSZbSi6{p-ZG8(NPRJH|4N zxHRm66*phdGsUTKF2PPkjNW7=-#ZR{*IRH}y5Z-K;C#h)6oP?~b)xg8W?z(V(Un(~ z#2&JG2!W43K@s?BbU!)G53X*&YRqIE2kvlW+MO8LogJ)s>_&b@Hc^&M`5nz$N#bs1 zHu61=9TRj*Xg0wKlRwe>E6c_?L9?-@rCEK(Xe#6u>Yl6=qmz0XHE}(SI7=hJ(y&jN z%;NG#9HkrJ0hCO&SetjX?%db5YtNp2&^grsvFp{=^d}M4|F$>pF;|2S-@Kxz?<4Sz z7m3k_aD2Q29Ek#~c?mvL=#5f7jMEh8d>n*D_bVViB8$<49zi(b_9sCo`Kb_l=1hKZ?@M#2 z^kSLg7mM*5z&bAek6B55#gR+CBuSOim9?6iA$Jq;R0=7|U`wk@=g=5BSguK8Qhw5i+%P@e Pg}iL`u{i+KGq?T)H-0-w delta 2330 zcmZWqe@qis9KZKk^sW?h45tNxJ(mbfVv5Pw7|D{(xrod-WPhx4iMuThDkg|ovJp&_ zC1z=iZdbk#m{C_ISvr!%JNt)?F4!5jAz|1cPH@6XWC+z6664Zsaqix|ch?r0wDCUqetzrDVtJmi#_DDiV|lq=7NyZE({HD#s|T7PPc`yj*4N?X+L7F+jN$o ze@$#(f^&3CeCGNJ-NqSsao+fbyFRAGqul@fVHhJS<4mPWn`8PnaWXJobAf9}@X(6P0b zy2NcNpQaA&vKLT7d@m!&O@0g$`y?3JCqk$w7Y^-z7I@xi&?4o{wFshXBvAGI<1IxgCXXnAlfI^gw_nrNq0UW$U^$2`_76bKXCD6261{vt;rAesBW{sdU{f%_ za5&7iut4$^YFIpm!&igaU*voo>77tCx-);Zgg@-N%wRNC~e39~fb`epACk9Co`Y_@8%dqi74MabTfRTR3k7oL{KWC@k%CK^cr7!TqltHI2!B9pS>NTT`^iF7wjlk#)2lfw} zWt5MYWrTE#l+l1fMj>HRh%mukJ2XgYjE2m-aM$UDvtCoihIE--}fz?0ED74vm|s`+p@?XhA;<-I^og zfMZU0kUWgz-`Be$C}VI44n7yzf*EXPZ#e%a`8an z?d-HwhU0gPw3W{V!SX=+d>AK4%2g1YE<;h6nRXk4Q$53yh36JZLA<{klF4$CD*p$S zr%jjUm!&MtLebquQ11Gn`qFk`h7!10sF^*$Cn@sLX6yf0SbP}N_JDM6y}*RS_ssS> z0+x#;3eERRA@)SXLknhemHV{00(w9U?|(d2h~=ndQN=%rUmKB4%7r=>jsgw+2587Qy< diff --git a/test/blockstructure.py b/test/blockstructure.py index 33f1a570..ea2c7310 100644 --- a/test/blockstructure.py +++ b/test/blockstructure.py @@ -21,7 +21,8 @@ sk_pick1 = BlockStructure(gf_struct_sumk = SK.gf_struct_sumk, gf_struct_solver = SK.gf_struct_solver, solver_to_sumk = SK.solver_to_sumk, sumk_to_solver = SK.sumk_to_solver, - solver_to_sumk_block = SK.solver_to_sumk_block) + solver_to_sumk_block = SK.solver_to_sumk_block, + deg_shells = SK.deg_shells) assert sk_pick1 == pick1, 'constructing block structure from SumkDFT properties failed' # check pick_gf_struct_sumk