Skip to content

Commit 7e6eb02

Browse files
author
carlos mejuto zaera
committed
Changed Fetch command for blaspp, to refer to most recent commit. Was needed to resolve some compilation issues.
1 parent 365a871 commit 7e6eb02

File tree

4 files changed

+9
-4
lines changed

4 files changed

+9
-4
lines changed

include/macis/gf/lanczos.hpp

Lines changed: 6 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -603,9 +603,12 @@ void GetGS(const MatOp &H, double &E0, Eigen::VectorXd &psi0,
603603
int64_t n = H.rows();
604604
// Initial vector. We choose (1,0,0,0,...)t
605605
// for HF, Otherwhise (1,1,1,1,...)t
606-
Eigen::VectorXd start_psi =
607-
isHF ? Eigen::VectorXd::Zero(n) : Eigen::VectorXd::Ones(n);
608-
start_psi(0) = 1.;
606+
Eigen::VectorXd start_psi = Eigen::VectorXd::Ones(n);
607+
if( isHF )
608+
{
609+
start_psi= Eigen::VectorXd::Zero(n);
610+
start_psi(0) = 1.;
611+
}
609612
// Determine lowest eigenvalue for the given
610613
// tolerance.
611614
Eigen::VectorXd psi0_Lan;

include/macis/sd_operations.hpp

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -11,6 +11,7 @@
1111
#include <cassert>
1212
#include <macis/bitset_operations.hpp>
1313
#include <numeric>
14+
#include <tuple>
1415

1516
namespace macis {
1617

include/macis/util/orbital_rotation_utilities.hpp

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -8,6 +8,7 @@
88

99
#pragma once
1010
#include <macis/types.hpp>
11+
#include <tuple>
1112

1213
namespace macis {
1314

src/lobpcgxx/CMakeLists.txt

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -21,7 +21,7 @@ if(NOT lapackpp_FOUND )
2121
include( FetchContent )
2222
FetchContent_Declare( blaspp
2323
GIT_REPOSITORY https://github.com/icl-utk-edu/blaspp.git
24-
GIT_TAG 01b5678bb764755254e907e6c56d4054b0ebabc1
24+
#GIT_TAG 01b5678bb764755254e907e6c56d4054b0ebabc1
2525
)
2626
FetchContent_Declare( lapackpp
2727
GIT_REPOSITORY https://github.com/icl-utk-edu/lapackpp.git

0 commit comments

Comments
 (0)