From e1e8c2215ae103ba0208cfd4cf3678798f66a2bc Mon Sep 17 00:00:00 2001
From: Marcin Kirsz <mkirsz@ed.ac.uk>
Date: Fri, 4 Oct 2024 12:16:13 +0100
Subject: [PATCH] Update
---
trainer.h | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/trainer.h b/trainer.h
index a8c9e65..06c879c 100644
--- a/trainer.h
+++ b/trainer.h
@@ -351,16 +351,16 @@ class MPI_Trainer_WORKER {
// do work
StructureDB stdb;
stdb.add(std::string(fn,fn_length),first,nstruc);
- nnf.calc(stdb);
+ tr.nnf.calc(stdb);
// compute number of rows needed for a given StructureDB
int rows_needed = 0;
for (size_t s=0; s<stdb.size(); ++s) {
int natoms = stdb(s).natoms();
- rows_needed += DesignMatrixBase::phi_rows_num(config, 1, natoms);
+ rows_needed += DesignMatrixBase::phi_rows_num(tr.config, 1, natoms);
}
- if (rows_available<rows_needed) {
+ if (tr.rows_available<rows_needed) {
// we do not have enough rows in the local phi matrix
// so we create temp DM of required size
DesignMatrix<DM_Function_Base&> temp_dm(*fb, config);
--
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