From 74079b2920e1ad8e91e3422df773351d29d6eb62 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Tue, 14 Nov 2023 14:38:20 +0100 Subject: [PATCH] do not track methods and options files --- input/methods | 20 -------------------- input/options | 18 ------------------ 2 files changed, 38 deletions(-) delete mode 100644 input/methods delete mode 100644 input/options diff --git a/input/methods b/input/methods deleted file mode 100644 index 4f2a83b..0000000 --- a/input/methods +++ /dev/null @@ -1,20 +0,0 @@ -# RHF UHF GHF ROHF - F F F F -# MP2 MP3 - F F -# CCD pCCD DCD CCSD CCSD(T) - F F F F F -# drCCD rCCD crCCD lCCD - F F F F -# CIS CIS(D) CID CISD FCI - F F F F F -# phRPA phRPAx crRPA ppRPA - F F F F -# G0F2 evGF2 qsGF2 G0F3 evGF3 - F F F F F -# G0W0 evGW qsGW SRG-qsGW ufG0W0 ufGW - F F F F F F -# G0T0pp evGTpp qsGTpp G0T0eh evGTeh qsGTeh - F F F F F F -# Rtest Utest Gtest - F F F diff --git a/input/options b/input/options deleted file mode 100644 index 8a86013..0000000 --- a/input/options +++ /dev/null @@ -1,18 +0,0 @@ -# HF: maxSCF thresh DIIS guess mix shift stab search - 256 0.00001 5 1 0.0 0.0 F F -# MP: reg - F -# CC: maxSCF thresh DIIS - 64 0.00001 5 -# spin: TDA singlet triplet - F T T -# GF: maxSCF thresh DIIS lin eta renorm reg - 256 0.00001 5 F 0.0 0 F -# GW: maxSCF thresh DIIS lin eta TDA_W reg - 256 0.00001 5 F 0.0 F F -# GT: maxSCF thresh DIIS lin eta TDA_T reg - 256 0.00001 5 F 0.0 F F -# ACFDT: AC Kx XBS - F F T -# BSE: phBSE phBSE2 ppBSE dBSE dTDA - F F F F T