Changeset 0d26e91 in sasmodels for sasmodels/models

Timestamp:

Mar 6, 2019 3:44:39 PM (5 years ago)

Author:

GitHub <noreply@…>

Branches:

master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

15f5138

Parents:

da3638f (diff), e589e9a (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Paul Kienzle <pkienzle@…> (03/06/19 15:44:39)

git-committer:

GitHub <noreply@…> (03/06/19 15:44:39)

Message:

Merge branch 'beta_approx' into ticket-1015-gpu-mem-error

Location:

sasmodels/models

Files:

• hardsphere.py (modified) (1 diff)
• rpa.c (modified) (6 diffs)

sasmodels/models/hardsphere.py

@@ -162 +162 @@
     return pars
 
-demo = dict(radius_effective=200, volfraction=0.2,
-            radius_effective_pd=0.1, radius_effective_pd_n=40)
 # Q=0.001 is in the Taylor series, low Q part, so add Q=0.1,
 # assuming double precision sasview is correct

sasmodels/models/rpa.c

@@ -25 +25 @@
   double S0ba,Pbb,S0bb,Pbc,S0bc,Pbd,S0bd;
   double S0ca,S0cb,Pcc,S0cc,Pcd,S0cd;
-  double S0da,S0db,S0dc;
+  //double S0da,S0db,S0dc;
   double Pdd,S0dd;
   double Kaa,Kbb,Kcc;
   double Kba,Kca,Kcb;
-  double Kda,Kdb,Kdc,Kdd;
+  //double Kda,Kdb,Kdc,Kdd;
   double Zaa,Zab,Zac,Zba,Zbb,Zbc,Zca,Zcb,Zcc;
   double DenT,T11,T12,T13,T21,T22,T23,T31,T32,T33;
@@ -36 +36 @@
   double N11,N12,N13,N21,N22,N23,N31,N32,N33;
   double M11,M12,M13,M21,M22,M23,M31,M32,M33;
-  double S11,S12,S13,S14,S21,S22,S23,S24;
-  double S31,S32,S33,S34,S41,S42,S43,S44;
+  double S11,S12,S22,S23,S13,S33;
+  //double S21,S31,S32,S44; 
+  //double S14,S24,S34,S41,S42,S43;
   double Lad,Lbd,Lcd,Nav,Intg;
 
@@ -115 +116 @@
   S0cd=(Phicd*vcd*Ncd)*Pcd;
 
-  S0da=S0ad;
-  S0db=S0bd;
-  S0dc=S0cd;
+  //S0da=S0ad;
+  //S0db=S0bd;
+  //S0dc=S0cd;
   Pdd=2.0*(exp(-Xd)-1.0+Xd)/(Xd*Xd); // free D chain
   S0dd=N[3]*Phi[3]*v[3]*Pdd;
@@ -198 +199 @@
   S0ca=S0ac;
   S0cb=S0bc;
-  S0da=S0ad;
-  S0db=S0bd;
-  S0dc=S0cd;
+  //S0da=S0ad;
+  //S0db=S0bd;
+  //S0dc=S0cd;
 
   // self chi parameter is 0 ... of course
@@ -206 +207 @@
   Kbb=0.0;
   Kcc=0.0;
-  Kdd=0.0;
+  //Kdd=0.0;
 
   Kba=Kab;
   Kca=Kac;
   Kcb=Kbc;
-  Kda=Kad;
-  Kdb=Kbd;
-  Kdc=Kcd;
+  //Kda=Kad;
+  //Kdb=Kbd;
+  //Kdc=Kcd;
 
   Zaa=Kaa-Kad-Kad;
@@ -294 +295 @@
   S12= Q12*S0aa + Q22*S0ab + Q32*S0ac;
   S13= Q13*S0aa + Q23*S0ab + Q33*S0ac;
-  S14=-S11-S12-S13;
-  S21= Q11*S0ba + Q21*S0bb + Q31*S0bc;
   S22= Q12*S0ba + Q22*S0bb + Q32*S0bc;
   S23= Q13*S0ba + Q23*S0bb + Q33*S0bc;
-  S24=-S21-S22-S23;
-  S31= Q11*S0ca + Q21*S0cb + Q31*S0cc;
-  S32= Q12*S0ca + Q22*S0cb + Q32*S0cc;
   S33= Q13*S0ca + Q23*S0cb + Q33*S0cc;
-  S34=-S31-S32-S33;
-  S41=S14;
-  S42=S24;
-  S43=S34;
-  S44=S11+S22+S33+2.0*S12+2.0*S13+2.0*S23;
+  //S21= Q11*S0ba + Q21*S0bb + Q31*S0bc;
+  //S31= Q11*S0ca + Q21*S0cb + Q31*S0cc;
+  //S32= Q12*S0ca + Q22*S0cb + Q32*S0cc;
+  //S44=S11+S22+S33+2.0*S12+2.0*S13+2.0*S23;
+  //S14=-S11-S12-S13;
+  //S24=-S21-S22-S23;
+  //S34=-S31-S32-S33;
+  //S41=S14;
+  //S42=S24;
+  //S43=S34;
 
   //calculate contrast where L[i] is the scattering length of i and D is the matrix