remove vectorvector in bfgs and add parameter cp2k

Fei Yang · Fei Yang · commit 1815fa1599c9 · 2025-10-30T20:16:26.000+08:00
diff --git a/source/source_relax/lattice_change_basic.cpp b/source/source_relax/lattice_change_basic.cpp
@@ -4,7 +4,6 @@
 #include "source_base/global_variable.h"
 #include "source_base/parallel_common.h"
 #include "source_io/module_parameter/parameter.h"
-#include "ions_move_basic.h"
 
 int Lattice_Change_Basic::dim = 0;
 bool Lattice_Change_Basic::converged = true;
diff --git a/source/source_relax/lattice_change_basic.h b/source/source_relax/lattice_change_basic.h
@@ -3,6 +3,7 @@
 
 #include "source_base/matrix.h"
 #include "source_cell/unitcell.h"
+#include "ions_move_basic.h"
 
 namespace Lattice_Change_Basic
 {

Original file line number	Diff line number	Diff line change
`@@ -3,6 +3,7 @@`
`3`	`3`
`4`	`4`	`#include "source_base/matrix.h"`
`5`	`5`	`#include "source_cell/unitcell.h"`
	`6`	`+#include "ions_move_basic.h"`
`6`	`7`
`7`	`8`	`namespace Lattice_Change_Basic`
`8`	`9`	`{`