fix some bugs caused by deepmodeling#5134

a1henu · Sep 26, 2024 · 9e705b9 · 9e705b9
1 parent c0f35ea
commit 9e705b9
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Showing 2 changed files with 10 additions and 7 deletions.
diff --git a/python/pyabacus/src/py_diago_dav_subspace.hpp b/python/pyabacus/src/py_diago_dav_subspace.hpp
@@ -110,11 +110,14 @@ class PyDiagoDavSubspace
         bool scf_type,
         hsolver::diag_comm_info comm_info
     ) {
-        auto hpsi_func = [mm_op] (std::complex<double> *hpsi_out,
-                    std::complex<double> *psi_in, const int nband_in,
-                    const int nbasis_in, const int band_index1,
-                    const int band_index2) 
-        {
+        auto hpsi_func = [mm_op] (
+            std::complex<double> *psi_in,
+            std::complex<double> *hpsi_out, 
+            const int nband_in,
+            const int nbasis_in, 
+            const int band_index1,
+            const int band_index2
+        ) {
             // Note: numpy's py::array_t is row-major, but
             //       our raw pointer-array is column-major
             py::array_t<std::complex<double>, py::array::f_style> psi({nbasis_in, band_index2 - band_index1 + 1});

diff --git a/python/pyabacus/src/py_diago_david.hpp b/python/pyabacus/src/py_diago_david.hpp
@@ -109,8 +109,8 @@ class PyDiagoDavid
         hsolver::diag_comm_info comm_info
     ) {
         auto hpsi_func = [mm_op] (
-            std::complex<double> *hpsi_out,
-            std::complex<double> *psi_in, 
+            std::complex<double> *psi_in,
+            std::complex<double> *hpsi_out, 
             const int nband_in, 
             const int nbasis_in, 
             const int band_index1,