From 67bcf653b54f681d11c0082f4cefee89b206cd90 Mon Sep 17 00:00:00 2001
From: Marcin Kirsz <mkirsz@ed.ac.uk>
Date: Mon, 29 Apr 2024 14:30:42 +0100
Subject: [PATCH] fill_T start argument
---
design_matrix/design_matrix.h | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/design_matrix/design_matrix.h b/design_matrix/design_matrix.h
index 8084b5c..82dde6b 100644
--- a/design_matrix/design_matrix.h
+++ b/design_matrix/design_matrix.h
@@ -69,7 +69,7 @@ class DesignMatrix : public DesignMatrixBase {
F f;
phi_type Phi;
t_type T;
- t_type Tlabels; // 0-Energy, 1-Force, 2-Stress
+ t_type Tlabels; // 0-Energy, 1-Force, 2-Stress // TODO should be array of int not double
bool scale=true; // Control escale,fscale,sscale
double e_std_dev=1;
@@ -194,8 +194,8 @@ class DesignMatrix : public DesignMatrixBase {
f.calc_phi_stress_rows(Phi,row,sscale_arr,st,st_d);
}
}
- void fill_T(const StructureDB &stdb) {
- size_t j=0;
+ void fill_T(const StructureDB &stdb, size_t start=0) {
+ size_t j=start;
for (size_t s=0; s<stdb.size(); ++s) {
double escale = 1;
--
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