From 037c1146fb6b2b73b778e4c737cd6dc62fa07016 Mon Sep 17 00:00:00 2001
From: Elias Pipping <elias.pipping@fu-berlin.de>
Date: Thu, 15 Mar 2012 17:31:26 +0100
Subject: [PATCH] Make FPI tolerance configurable
---
src/one-body-sample.cc | 3 ++-
src/one-body-sample.parset | 1 +
2 files changed, 3 insertions(+), 1 deletion(-)
diff --git a/src/one-body-sample.cc b/src/one-body-sample.cc
index c5cb4cc4..d51ffa4b 100644
--- a/src/one-body-sample.cc
+++ b/src/one-body-sample.cc
@@ -275,7 +275,8 @@ int main(int argc, char *argv[]) {
std::cout << '.';
std::cout.flush();
}
- if (energyNorm.diff(u4_diff_old, u4_diff) < 1e-14) // TODO
+ if (energyNorm.diff(u4_diff_old, u4_diff) <
+ parset.get<double>("solver.tnnmg.fixed_point_tolerance"))
break;
}
diff --git a/src/one-body-sample.parset b/src/one-body-sample.parset
index c87dea6c..639a5ce0 100644
--- a/src/one-body-sample.parset
+++ b/src/one-body-sample.parset
@@ -27,6 +27,7 @@ tolerance = 1e-14
use = true
maxiterations = 1000000
fixed_point_iterations = 20
+fixed_point_tolerance = 1e-14
[solver.tnnmg.linear]
maxiterations = 1000000
--
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