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added crhf options and methods

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This commit is contained in:
Loris Burth 2025-03-26 19:06:21 +01:00
parent d59278987e
commit a7d94e8193
2 changed files with 5 additions and 7 deletions
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8
crhf_test/methods.test
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@ -1,5 +1,5 @@
# RHF UHF GHF ROHF HFB cRHF
T F F F F T
F F F F F T
# MP2 MP3
F F
# CCD pCCD DCD CCSD CCSD(T)
@ -13,12 +13,12 @@
# G0F2 evGF2 qsGF2 ufGF2 G0F3 evGF3
F F F F F F
# G0W0 evGW qsGW ufG0W0 ufGW
T F F F F
F F F F F
# G0T0pp evGTpp qsGTpp ufG0T0pp
F F F F
# G0T0eh evGTeh qsGTeh
F F F
# cG0W0
T
# cG0W0 cG0F2
F F
# Rtest Utest Gtest
F F F

4
crhf_test/options.test
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@ -1,7 +1,5 @@
# HF: maxSCF thresh DIIS guess mix shift stab search
1000 0.00001 5 1 0.0 0.0 F F
# CAP: eta
0.0015
1000 0.00000001 4 1 0.0 0.0 F F
# MP: reg
F
# CC: maxSCF thresh DIIS