From 789276a67227ab7ce763d682dbf2127a8a0f4621 Mon Sep 17 00:00:00 2001 From: EricaCMitchell Date: Thu, 18 Apr 2024 14:50:05 -0400 Subject: [PATCH 1/2] emultipoleN derivs --- src/bin/libint/build_libint.cc | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/bin/libint/build_libint.cc b/src/bin/libint/build_libint.cc index 0832058bb..ac3e4bf1a 100644 --- a/src/bin/libint/build_libint.cc +++ b/src/bin/libint/build_libint.cc @@ -316,9 +316,9 @@ void build_onebody_1b_1k(std::ostream& os, std::string label, // derivatives of spherical multipole integrals are not implemented { if (std::is_same<_OperType, SphericalMultipoleOper>::value && - deriv_level > 0) - throw std::invalid_argument( - "derivatives of spherical multipole ints are not yet implemented"); + deriv_level > 0) return; + // throw std::invalid_argument( + // "derivatives of spherical multipole ints are not yet implemented"); } // From 2a355c7be20fb763986bb59fcd1691f0aa624f2c Mon Sep 17 00:00:00 2001 From: EricaCMitchell Date: Tue, 23 Apr 2024 14:04:23 -0400 Subject: [PATCH 2/2] Remove X before DISABLE_ONEBODY_PROP... --- configure.ac | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/configure.ac b/configure.ac index 007753e51..a427e5d4f 100644 --- a/configure.ac +++ b/configure.ac @@ -226,7 +226,7 @@ case $enableval in ;; esac ]) -if test X$DISABLE_ONEBODY_PROPERTY_DERIVS != 0; then +if test $DISABLE_ONEBODY_PROPERTY_DERIVS != 0; then AC_DEFINE(DISABLE_ONEBODY_PROPERTY_DERIVS) fi