diff --git a/src/tc_bi_ortho/12.tc_bi_ortho.bats b/src/tc_bi_ortho/12.tc_bi_ortho.bats deleted file mode 100644 index f5b9d8c0..00000000 --- a/src/tc_bi_ortho/12.tc_bi_ortho.bats +++ /dev/null @@ -1,49 +0,0 @@ -#!/usr/bin/env bats - -source $QP_ROOT/tests/bats/common.bats.sh -source $QP_ROOT/quantum_package.rc - - -function run_Ne() { - qp set_file Ne_tc_scf - qp run cisd - qp run tc_bi_ortho | tee Ne_tc_scf.cisd_tc_bi_ortho.out - eref=-128.77020441279302 - energy="$(grep "eigval_right_tc_bi_orth =" Ne_tc_scf.cisd_tc_bi_ortho.out)" - eq $energy $eref 1e-6 -} - - -@test "Ne" { - run_Ne -} - - -function run_C() { - qp set_file C_tc_scf - qp run cisd - qp run tc_bi_ortho | tee C_tc_scf.cisd_tc_bi_ortho.out - eref=-37.757536149952514 - energy="$(grep "eigval_right_tc_bi_orth =" C_tc_scf.cisd_tc_bi_ortho.out)" - eq $energy $eref 1e-6 -} - - -@test "C" { - run_C -} - -function run_O() { - qp set_file C_tc_scf - qp run cisd - qp run tc_bi_ortho | tee O_tc_scf.cisd_tc_bi_ortho.out - eref=-74.908518517716161 - energy="$(grep "eigval_right_tc_bi_orth =" O_tc_scf.cisd_tc_bi_ortho.out)" - eq $energy $eref 1e-6 -} - - -@test "O" { - run_O -} -