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Commit 7b53682

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wenfei-li
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fix : increase mxr in Ewald, in case
someone uses a very small unitcell
1 parent 87f0bb0 commit 7b53682

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source/src_pw/H_Ewald_pw.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
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#include "../src_pw/global.h"
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double H_Ewald_pw::alpha=0.0;
10-
int H_Ewald_pw::mxr = 50;
10+
int H_Ewald_pw::mxr = 200;
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double H_Ewald_pw::ewald_energy=0.0;
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H_Ewald_pw::H_Ewald_pw(){};

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