From 77860d14434fd415c7d29310b08553e5fa0487e8 Mon Sep 17 00:00:00 2001 From: Yannick Calvino Alonso Date: Fri, 12 Apr 2024 15:29:24 +0200 Subject: [PATCH] added test for spahm-b (water) --- tests/data/H2O_spahm_b.npy_alpha_beta.npy | Bin 0 -> 26720 bytes tests/test_spahm_b.py | 22 ++++++++++++++++++++++ 2 files changed, 22 insertions(+) create mode 100644 tests/data/H2O_spahm_b.npy_alpha_beta.npy create mode 100644 tests/test_spahm_b.py diff --git a/tests/data/H2O_spahm_b.npy_alpha_beta.npy b/tests/data/H2O_spahm_b.npy_alpha_beta.npy new file mode 100644 index 0000000000000000000000000000000000000000..b2336a897260993faeee9edcacfd0587dcf704b4 GIT binary patch literal 26720 zcmeI*c{o*F`#5l9$~;d|hB%a=km0OtABi-IQb{F5At9t$LMoL+rJ|CMBBYYe+BuQX zU`ioLlsPhGNJoB;v)Adp-oDrS$M5^sdtKktf1T@GYv236*IK*hUZ1m{c)Rth?Kg3A zg>W6Bcz6bF52R34DcBA(imobUhksyjpqt+||3DAV>CczC`38CZ^Ldb$TY%?3f7dqB zRb9Anftil3>Jiod-5;U2{4T%HNAk2U%z(Ph&J>z^-$ts$ z;q-0qsf)WnS=xZhOM#xk5|I;Yo@Fc`d>>1e+ik2VOzn|x%rD?4He@-ePYE>OH)uca zEV~G>4v!o0OMA~3rs~?1#|&bs7vTAoj(`H1lot1$99ytl}4)r-^I1^uM4q=)3V z3nYiS9^=2@J+TzZf;1FwHop8dHA(w*4zw*gGbB{GP#K_yUt#aea{mY7e-E zeCfxJPv!NtXqsTFdoL>&l-({&v1${gNg5M6RFqG#IE4ekOt|4Gc^w}#Zqb`>yG7zh z;FJ$JuKXgKl!DFTm)AZB?@>6d z<uX@EgIR69$YY}rUs&ndHt(7a1f;x@rD)ImW_xl~EWo5)7iF8D9LIe^!)|(|Yhje6 zW0bflF2;gdLFs{)6hewOtYOUg34ZxtW?~YTB2j_n>nc>g&**+mHO_pMIp{#E;hN9Y zXTOQo{rlKVhcP3XO#J?$HaBaU1)4{Pty3R7Z=6enqWo@gGCgxMdln{gadY-@>803V z6yJBv=1JN!EzEcu8DDQ@Un$jD5fiya#<%V_G0(Wd78?~NA3cpwXnuXXF6yHv_;G)9`mY918 z8J}^sBBASPNEA@X_?Qb#Qq=B=6CN#Od~Gj;mF{tI5qiDkJbhPkm7$k8o46oM=I^cZ z>p9&;^RS2vGJgs+D*N0lb%=y8GJnD^lg5JNV(>T{-Z8#Y=RwGwohl!m1{MlR*B>xU zKMl?L$a*m<0xeU&GC}ffa-8mm2j0D_X@e0*2Nq^E7vKRVd=Ue`nqecY{{B|Vbv!nw zKs?!S0yck$7l}*ifH}9xeM&;CCi>uK27L9F+!tKYd~c>TD%NugW3N#i>B&Z(e4o#_57Y+kk{?PWt$m^BkE$rS+rjVp#5uxFu9)F(ERs8^;o>s z&t#>k9L?^x!=BcATC`>qPlc_FTd=MuQH0`&&HBl8n!*HuZ>nz!W=%jx6kmSLlKErTgIynXJ=pbOsI^1yr}p@!m2-7Zopgol&)MIb z7ev3JxoIQ*u%JPZmU;*Tnvm$6Hh`OhCNCQiwk^AnLAh{1rybrWK`9K~M zttIE@k%qc659H@!&b4G-;vyDshi#T3eA8;rFWc*eZM*8 z+P`qLo*Yp9`WBzMH=t!oqiiDM;a#Pvd2y3GwqhO`PeU{hO~FHoFd(W<&#azFNJ^6N z`OSZO<)N1%(LO}RS7pA(v^!Fjh$tcByH?pMU2i9gamT%5#g{UA?!?_MqL`o=nLnE* zI~RJc2+@0&%%5ShxqYND58-Z3)-AH~vs}UpWz2@3%pbcR?E0|l!LARxe(ZX3asF^J zz{vn71Dp(SGQi0ICjm(}rB34(_X~|j zUHw(@L)$6{@N~uuNypE9_*!uA2#5Bp>aSQ9K7YJ#3)--s3-PQcG)jJ zP*phSoD?zx#$}$rP^lDBpU`N5x1KTue*;`Xf^rVCXvGfe{nJUqzFmJDP6|(mVVI7zHF+0imn(p z`@>SH5h|mhChfTHIGsIibM>OCh~2W#{qD-Pnqdi`rnS)^B~2DMeN@)TV)8;e_qbb9 zQ@o(zp!bsY!`#5vPsPmpg%bSXxBIK^AscwYTA|6`m>bsRJ-1HZychPK z1hu5={i4(?@vEzLeCY~T2im^xGj46@r-zq)PS|890cM*y2S+cN3H!Gh>^M#30jUb9 zxLhqC%--(b++1r~_;y`>;^)m`AUfdb`eVMTAPuaW5mhJ;1JQNPltH_(#<_rkuEX8$ zbYar>7qy)46>Vc)4|SPC@mSXlE}%bX_;`IP*Pn4?FGnvgzsU^?W_7GQb4VR1#Ve}Y zNJ@fFzec}ZIx|QO(~B{Ux+wtzELP@0C3%pW|9PMvZ=>G3F}hQCasf!4c)&E+Iz)fJ zR7#YAV_@;<1M|(hx-7b%-=KGeN&&12j=Ej@XhF@r8g%G@D%=>bH|FtrO)#hCb?bP; z7*%~%d`Hi&Pfrb{-keE2qXN#kpDpA2{Lg(|SvDE=RvB)X56l-^3W3#0w=VnnYXid% zavf_`xWJj~Q7&2mivV$SNAdxa*)TkUfB(UM=7j@~W}9=Q4m{%ekg&8?Xd;3=A~g07E~Y_n9MRm$p+))r$BJKD_LmY{;alsj}S_vaE^`>w0cnT!c4 zb)K#q-?$0h5Mut`*FzJ`ZF{xH_ktWyRh2D`t8At7xXG?xXVXm|k56>$+oTRs`9arl zPj#R^dbj_Tw=75)bKA1yi3S{*O1D0_Qxz5kugeUOHHKoUzn$F9=)>HU*G~oPg@NqM zvl}Iu5^y8RpTwfen~EMug60}Be=BS59u<$^0Ykd?Jq7ucVHnpeqdL>uRCgsZf5Irw zvU5622g(HDNv8{SLDVXXA4QD!V!YBYxcc@&M;hM}4~`vd%gmVrg^M;mNVC_6DO`e7O*=*C_~1~0@@yHff5+$}J%L~J zGp=tc7Rrmk^lF>>o?K<1#aMipzepLDO{_1YWlKVuE^G@aQU~8OjLjEsRE3FXe`tKo zRPWxk5(e)G745!i0_st|B|oK4b&UDo?rI9JwXf>~v(Aa~aGq`Wysd4Q?u*NVy4^i{ z^9)76*^6m4E9!=*2cKvy%30E3aPnUk6wz}`-Sdk?R%PQ_Zw>A>z-uZ$s%g< zu2{*nn|@P!`or|=k_PD}yZMJw7yO`}^ES$mjg_;JU!=b3 z*_ri1afq6`oncfP@R6z+yNA#-;s#>NBogt@P^KU#-g5ECO+lJ)14C zDf+snxi(U<+CT}#(^@kbaJ^U&l%jZe@?M7&?-GGqciuj?Zyi4jPItM)d!0$&@}c;> zkSz~**XkN`5t9PU-t}Lzsw7}Jitpv}UvCCqjZw4ba&3Egx_OLT-x5*-=eUI%Kn`Fz4n+8_Y&?Z(`#MzDc~z}?Y7R5> z{w8Jv)ybpwlrJs|E;jGauYAk{i`O4~cilt@41P4Vt6ZW323Bp}Xz)uAMhhy4uaQ#+ zyb8(7y-&B$mG8gv-z}~RzBd@X0a;9H*yZ!~{^$2nZB*ME7U?QMYxKPRJh^yh6OR!r zkaeDE7GeZwX#cWC>nVEP%VtKoEDXxuDk%HT0XKC6MZrD>@H6B5=Bug_AY9ohp>MVr z|9B(=UlpcF+PFt2>0T^Wrc-FlzFM#yC|_<>RoI zhBQ<*kFL|S>7$pa-${OxJW0PQpD~y2$O9=Te^Z9re)7mm!AB^6O|5r3mpF)lqopUT z{Om;GSn$LrKJ5Cj>v@gkXa#69CZ`>(Jj09SEG-zNESET! zk;QUydW>wA%i^awvs{lnW02)&^YDJbAeGb{L9CZH?LN!#()hhsZ@=dy!uQ4|1qRDv zP07=4vJrPoES~Q=u1RRK9BmPv2oLPx6Vkx^?@l|ia$IkP&DsD#eaxw3+W#EGn`(vn ztDcBsJ}gI@hi{z_IAY$zMVz-Fud^zh9CroJ#G0Zi8N#(-+T|7D#vcVYyzuJ*qbx^T zjw_cL`8Vrv6FZ~HaV=#FX6Y?c$HrKWR-U1(JALj$p%t-Q>1tXa%V8SR%2+NCqdjCf zG&zRgI$q-2_N85svK6emjW?Si|YK?#zmd~xnRr3?~PrYshku3N284pW7u<+PgEy7BV z9CxRs-PV%rb1`pJ-}~r(yI77kkk-y}r<-V`qjjgrvfLfUAl=q#8XwDn#^du$z^6<7 zJ@D-0v`@T&4@GvaJn?WGy7x}IxEpwOkD~v;>>lXqIPI$<3i0Z~Lp^yaSoT#P^IOLR z2^W@IZN!%ab>`XTs9?@4w>pT|u$(Fnt)w@Ph_P*gXIM_P3%}lyLk!MPCa$vF-T>~* zJJ8tSs6gnleA*qn=b%L~HrWcw(0tv4>eq(u=Mu}&E~dR@xz6P@?x|@3{(nRfR6NijgT_Oy{r(52Y^z^zav6tn1yYLdh@)H78 z3dAoIpG#&+qNk}b@kDysr`^H(2Di;I;OYmd5z`Ji9@i+;I3?~ag4Ky zBJrx5%wOPQ=;Gt4gKf|y^Orb;zV~5BI7)pOj!8^A&Zp2MHwzGwN?bNV)Q|g$P&ZQ;F_XV)>d~$uvHL7elsy7N^y~+7VahrCuUAS-X z8S6ypeyF{7+NoCKvNfl;sj)(Y3^wgl>u_HOC#kIgQp8f`bYD0Y-y$~P>TS=15omv? 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