caching GaussianConvolution1D takes into account bloch-k and D

m-a-d-n-e-s-s · Dec 12, 2024 · 2eec9b0 · 2eec9b0
1 parent 4967add
commit 2eec9b0
Showing 1 changed file with 5 additions and 1 deletion.
diff --git a/src/madness/mra/convolution1d.h b/src/madness/mra/convolution1d.h
@@ -927,11 +927,15 @@ namespace madness {
         typedef typename ConcurrentHashMap<hashT, std::shared_ptr< GaussianConvolution1D<Q> > >::iterator iterator;
         typedef typename ConcurrentHashMap<hashT, std::shared_ptr< GaussianConvolution1D<Q> > >::datumT datumT;
 
-        static std::shared_ptr< GaussianConvolution1D<Q> > get(int k, double expnt, int m, bool periodic) {
+        static std::shared_ptr< GaussianConvolution1D<Q> > get(int k, double expnt, int m, bool periodic,
+                                                               double bloch_k = 0.0,
+                                                               unsigned int D = Convolution1D<Q>::maxD()) {
             hashT key = hash_value(expnt);
             hash_combine(key, k);
             hash_combine(key, m);
             hash_combine(key, int(periodic));
+            hash_combine(key, bloch_k);
+            hash_combine(key, D);
 
             MADNESS_PRAGMA_CLANG(diagnostic push)
             MADNESS_PRAGMA_CLANG(diagnostic ignored "-Wundefined-var-template")