diff --git a/benchmarks/QMMM_CBD_PHY/CBD_PHY.inp b/benchmarks/QMMM_CBD_PHY/CBD_PHY.inp index 5f9b55aa3d..cfa39cd088 100755 --- a/benchmarks/QMMM_CBD_PHY/CBD_PHY.inp +++ b/benchmarks/QMMM_CBD_PHY/CBD_PHY.inp @@ -31,7 +31,6 @@ &SCF ! Parameters controlling the convergence of the scf. This section should not be changed. EPS_SCF 1.0E-6 MAX_SCF 300 - SCF_GUESS RESTART &OT T MINIMIZER DIIS PRECONDITIONER FULL_ALL diff --git a/benchmarks/QMMM_ClC/ClC-19.inp b/benchmarks/QMMM_ClC/ClC-19.inp index e34ef92040..649ae4955e 100644 --- a/benchmarks/QMMM_ClC/ClC-19.inp +++ b/benchmarks/QMMM_ClC/ClC-19.inp @@ -31,7 +31,6 @@ &SCF ! Parameters controlling the convergence of the scf. This section should not be changed. EPS_SCF 1.0E-6 MAX_SCF 300 - SCF_GUESS RESTART &OT T MINIMIZER DIIS PRECONDITIONER FULL_ALL diff --git a/benchmarks/QMMM_ClC/ClC-253.inp b/benchmarks/QMMM_ClC/ClC-253.inp index afb20bbe02..6a93f9bb53 100644 --- a/benchmarks/QMMM_ClC/ClC-253.inp +++ b/benchmarks/QMMM_ClC/ClC-253.inp @@ -31,7 +31,6 @@ &SCF ! Parameters controlling the convergence of the scf. This section should not be changed. EPS_SCF 1.0E-6 MAX_SCF 300 - SCF_GUESS RESTART &OT T MINIMIZER DIIS PRECONDITIONER FULL_ALL diff --git a/benchmarks/QMMM_MQAE/MQAE.inp b/benchmarks/QMMM_MQAE/MQAE.inp index b075493c1e..77dd21f5f1 100644 --- a/benchmarks/QMMM_MQAE/MQAE.inp +++ b/benchmarks/QMMM_MQAE/MQAE.inp @@ -31,7 +31,6 @@ &SCF ! Parameters controlling the convergence of the scf. This section should not be changed. EPS_SCF 1.0E-6 MAX_SCF 300 - SCF_GUESS RESTART &OT T MINIMIZER DIIS PRECONDITIONER FULL_ALL diff --git a/benchmarks/QMMM_MQAE/MQAE_single_node.inp b/benchmarks/QMMM_MQAE/MQAE_single_node.inp index 073c373232..e8e87d2d37 100644 --- a/benchmarks/QMMM_MQAE/MQAE_single_node.inp +++ b/benchmarks/QMMM_MQAE/MQAE_single_node.inp @@ -31,7 +31,6 @@ &SCF ! Parameters controlling the convergence of the scf. This section should not be changed. EPS_SCF 1.0E-5 MAX_SCF 100 - SCF_GUESS RESTART &OT T MINIMIZER DIIS PRECONDITIONER FULL_ALL diff --git a/benchmarks/QS_LiH_HFX/input_bulk_HFX_3.inp b/benchmarks/QS_LiH_HFX/input_bulk_HFX_3.inp index c5fcc6df91..c06e5b663b 100644 --- a/benchmarks/QS_LiH_HFX/input_bulk_HFX_3.inp +++ b/benchmarks/QS_LiH_HFX/input_bulk_HFX_3.inp @@ -32,7 +32,6 @@ &SCF EPS_SCF 1.0E-6 MAX_SCF 20 - SCF_GUESS RESTART &OT PRECONDITIONER FULL_ALL &END OT diff --git a/benchmarks/QS_low_scaling_GW/GW.inp b/benchmarks/QS_low_scaling_GW/GW.inp index d8adb19344..d4b1a76812 100644 --- a/benchmarks/QS_low_scaling_GW/GW.inp +++ b/benchmarks/QS_low_scaling_GW/GW.inp @@ -27,7 +27,6 @@ CHOLESKY OFF EPS_SCF 1.0E-6 MAX_SCF 200 - SCF_GUESS RESTART &END SCF &XC &WF_CORRELATION