Fix logic in sr::op::A(), add TODOs

ValeevGroup · Feb 14, 2024 · 1f0fd88 · 1f0fd88
1 parent 7a878a2
commit 1f0fd88
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Showing 2 changed files with 3 additions and 1 deletion.
diff --git a/SeQuant/domain/mbpt/models/cc.cpp b/SeQuant/domain/mbpt/models/cc.cpp
@@ -302,6 +302,7 @@ std::vector<sequant::ExprPtr> CC::eom_sigma(size_t K_occ, size_t K_uocc) {
   auto idx = std::max(K_occ, K_uocc);  // idx for populating the result vector
   result.resize(idx + 1);
 
+  // TODO: Fix bug in EA, IP cases
   using boost::numeric_cast;
   for (auto o = numeric_cast<std::int64_t>(K_occ),
             u = numeric_cast<std::int64_t>(K_uocc);

diff --git a/SeQuant/domain/mbpt/sr.cpp b/SeQuant/domain/mbpt/sr.cpp
@@ -421,7 +421,7 @@ ExprPtr A(std::int64_t Kh, std::int64_t Kp) {
       [=](qnc_t& qns) {
         const std::size_t abs_Kh = std::abs(Kh);
         const std::size_t abs_Kp = std::abs(Kp);
-        if (Kp < 0)
+        if (Kp < 0 || Kh < 0)
           qns = combine(qnc_t{abs_Kp, 0ul, 0ul, abs_Kh}, qns);
         else
           qns = combine(qnc_t{0ul, abs_Kh, abs_Kp, 0ul}, qns);
@@ -599,6 +599,7 @@ std::wstring to_latex(const mbpt::Operator<mbpt::sr::qns_t, S>& op) {
     if (to_class(optype) == OpClass::gen) {
       result += L"}";
       return result;
+      // TODO: A(2, 1) produces \hat{A}, which has no info about ranks. Fix this
     }
   }