Hotfixes

m-a-d-n-e-s-s · Oct 18, 2024 · 53371a4 · 53371a4
1 parent 07e3eb3
commit 53371a4
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Showing 2 changed files with 4 additions and 2 deletions.
diff --git a/src/madness/mra/gfit.h b/src/madness/mra/gfit.h
@@ -522,7 +522,7 @@ class GFit {
 		// in the moment list
 		//
 		// <r^i|gj> cj = <r^i|exact-remainder>
-		const long nmom = 1;
+		const long nmom = 0;
 		if (nmom > 0) {
 			Tensor<double> q(4), qg(4);
 			double range = sqrt(-log(1e-6)/expnt[nmom-1]);

diff --git a/src/madness/mra/operator.h b/src/madness/mra/operator.h
@@ -245,8 +245,10 @@ namespace madness {
             Tensor<Q> coeff=fit.coeffs();
             Tensor<Q> expnt=fit.exponents();
 
+            // WARNING! More fine-grained control over the last argument is needed.
+            // This is a hotfix.
             if (bc(0,0) == BC_PERIODIC) {
-                fit.truncate_periodic_expansion(coeff, expnt, cell_width.max(), false);
+                fit.truncate_periodic_expansion(coeff, expnt, cell_width.max(), true);
             }
 
             return std::make_pair(coeff,expnt);