From 632d7571b2bad494e054d94c19c8db67f6de66de Mon Sep 17 00:00:00 2001 From: achalhp Date: Fri, 22 Mar 2024 18:31:13 +0530 Subject: [PATCH] correspondence matrix validation --- bin/correspondence_matrix | Bin 0 -> 17240 bytes correspondence_matrix.f90 | 81 ++++++++++++++++++++++++++++++++++++++ 2 files changed, 81 insertions(+) create mode 100755 bin/correspondence_matrix create mode 100644 correspondence_matrix.f90 diff --git a/bin/correspondence_matrix b/bin/correspondence_matrix new file mode 100755 index 0000000000000000000000000000000000000000..171fe38f579914b07651134a0a940948be58c89f GIT binary patch literal 17240 zcmeHOeQaCR6~A^8nnGKrrG@a()|7(UvA9Vax>D%sG#`Cs{Y+CvVddf2PGU&xV84`v zuZ9I9vM5tFsjQlimTl5t+B8+#hB^kqT~U)F#1cST(Ljn&nG#XfpaM!+srNhg-t+w8 z#xSAnk7>Ti^Eu~tKJLBe-TU6V_PYmax7N8`F2SWhd{dA#SfUWWR-C+5Ga!DkPRzyU z60ulZ0=ZCPO7B+$T2)TEr_*AM7l4vqDKRt9YZWY*atn!)U#>DXOKF%2-4F6BB9)f2 z=?3k`l=XIfUUEk9%1@iNlK~1-ryu2}yG*J@_lD{871vG_OIq(xX z@aJ>jALPK_0lo~!Ma49m+hS2OVFlurX$o^o!!|P%j)$8g2`e0L*jC*di-sEljjds& zn_1J`6pLH&K-8pHV=c0##1?t-~Hfe4AVkU zsGKW_4QmOdfvfj@v1n$cf$ACX(8tVQVBr#{uS+37LQ(rz+5rYY>Jr2Wn7 ziLAU}^iCQ_|FO|HI#pn}jvJ#Ftc3{hk`7Ru9&7R}t;zUP`?@!rt3b$(oAwwz8-5H+ zVf4Ol%`y5m`~t%GN_1;HgpcDzqp)-BL)~`$d}y|2tm=#o7K_)y+0*c*XVvKb#c1)X z7#!5loF zY07oFx|)N-NN%xC$`c36>BP~jd>b=<7uKDaGBj7zXt^C{YDmt9ZpjrwLu*P*FFCJz zhsOIqLjWbdfU!)|eYp(tx&iG{(hen4=k>H4N*)FaGn%YNGAyBL#=i*8eLVRR2+jBr zP(9;M5~MtbGw67Rodi2a8H}-Qe^U0aH#rCd@ty<0Kbrh|iKv$Ufm-x}yl|k=-#ce_ ziTZFq#2#F-CeEQV13kEePW+L$0i$o<)QMwsnZ^CCr1#PDMsLTY(YI%^uNLfI;Cio& zRJ0Q7XQTJ{%e3qszYW;| ze&Z~`SUet1w8x^Ma5NY;+X7ZR(&=lurCdZ~@wPy#cYio&#p1S04Ss}3dz45|esoY- zDnC;j|N7f~INseTL^lrDrqc(cN`JVnDY%t>>!mLM2G69^^vy!aB%aqmy`VcmXMdDV zKL^_WX*&HHC>8o`m5S@3dg1CUaa}WKR`CETC!F3H7)Goc$)IMI{HbXcf zlR^6K9)*@VRL1G+b`*X`ZCLC1-M96+efaT1mQqa@Y05;qi2=D9%)IM5pbcpKMTOsa z)7=s~HNg0QZV0zKCB3j#)RgOAqGh)GXIk|S&6UsvE&FvmtWRbCc~y+%o|KnqJ$??5 zGWSD=|Bn&-J@2fDYxViA)ASBan>5|8>64mfxqqox?4Q|$&$p8j&j;4^FDp-4-}6C; z#QjRISR9Z2W&N;~dPh92-xm|Q2 zqj$<&KgW=DQEb>d?U-jh%eEc+q)3ygTgKwW8N@uI-dgg-W5q-h&YJH3**m%nW_Cpfm57b-A?&k8?a#SAHelRH9y;1Olm-`9L;O~Mb-0vq8Md$DD zU?r~mrEhEEjKt>)zZVP&-xqV``8;e~;&Rb?oiv~JF;l-Tl?hy6?{{H`#lT(SO8b7u z_!@~{A+qlWhk$$0FF7*V81xz73y`-#otPW7?lx)fFx2d~$lhHd__={CcIB{d13sSy zk5^f8-X6(e|1|KD8QS@C;0w4i2OR~z%po&-8u)y7sW9~UVth*D+4rp?_ssEE;{ZJ14l*Bz^@(LBfuLDgG?#5FgPYAAH zcQ9^M_+r=%5@?K=R-jn`NLU?BO}?PWY_#|tG)=QK8xx6(nx4q)R+?rUjv^0sY_g)QO4Cg! 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<-10.1>{10.2} systems, shear = (3-(c/a)^2)/(sqrt(3) c/a) + ! tension in Co, Mg, Zr, Ti, and Be; compression in Cd and Zn + -1, 0, 1, 1, 1, 0, -1, 2, & ! + 0, -1, 1, 1, 0, 1, -1, 2, & + 1, -1, 0, 1, -1, 1, 0, 2, & + 1, 0, -1, 1, -1, 0, 1, 2, & + 0, 1, -1, 1, 0, -1, 1, 2, & + -1, 1, 0, 1, 1, -1, 0, 2, & + ! <11.6>{-1-1.1} systems, shear = 1/(c/a) + ! tension in Co, Re, and Zr + -1, -1, 2, 6, 1, 1, -2, 1, & + 1, -2, 1, 6, -1, 2, -1, 1, & + 2, -1, -1, 6, -2, 1, 1, 1, & + 1, 1, -2, 6, -1, -1, 2, 1, & + -1, 2, -1, 6, 1, -2, 1, 1, & + -2, 1, 1, 6, 2, -1, -1, 1, & + ! <10.-2>{10.1} systems, shear = (4(c/a)^2-9)/(4 sqrt(3) c/a) + ! compression in Mg + 1, 0, -1, -2, 1, 0, -1, 1, & + 0, 1, -1, -2, 0, 1, -1, 1, & + -1, 1, 0, -2, -1, 1, 0, 1, & + -1, 0, 1, -2, -1, 0, 1, 1, & + 0, -1, 1, -2, 0, -1, 1, 1, & + 1, -1, 0, -2, 1, -1, 0, 1, & + ! <11.-3>{11.2} systems, shear = 2((c/a)^2-2)/(3 c/a) + ! compression in Ti and Zr + 1, 1, -2, -3, 1, 1, -2, 2, & + -1, 2, -1, -3, -1, 2, -1, 2, & + -2, 1, 1, -3, -2, 1, 1, 2, & + -1, -1, 2, -3, -1, -1, 2, 2, & + 1, -2, 1, -3, 1, -2, 1, 2, & + 2, -1, -1, -3, 2, -1, -1, 2 & + ]),shape(system)) + + integer :: & + a, & !< index of active system + p, & !< index in potential system matrix + f, & !< index of my family + s !< index of my system in current family + + a = 0 + do f = 1, size(active,1) !< Loops 1 to 4 for hP + do s = 1, active(f) !< 1 to 6 two times + + a = a + 1 + p = sum(potential(1:f-1))+s !< 1 to 6 and 13 to 18 + + direction = [ system(1,p)*1.5, & + (system(1,p)+2.0*system(2,p))*sqrt(0.75), & + system(4,p)*cOverA ] ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(p/a)]) + + normal = [ system(5,p), & + (system(5,p)+2.0*system(6,p))/sqrt(3.0), & + system(8,p)/cOverA ] ! plane (hkil)->(h (h+2k)/sqrt(3) l/(p/a)) + + + + normal_vector(1:3,a) = normal /norm2(normal) + write(6,*)'normal vector', normal_vector + end do + end do + + do f = 1,size(active,1) + enddo + +end program corresponcence_matrix \ No newline at end of file