General Questions 110 topics

This is the place where you can put general questions/inquiries about MRCC related things.

Subject	Replies / Views	Last Post
MRCCSD task recognized as single-reference CCSD sometimes Topic started 2 weeks 20 hours ago, by Jiachen Wang Last Post 1 week 6 days ago by Jiachen Wang	Replies:2 Views:58	Last Post by Jiachen Wang 1 week 6 days ago
ONIOM DFT/GFN-FF Topic started 1 month 3 weeks ago, by nuno Last Post 1 month 3 weeks ago by nuno	Replies:2 Views:132	Last Post by nuno 1 month 3 weeks ago
MCSCF/CCSD Topic started 1 month 3 weeks ago, by nuno Last Post 1 month 3 weeks ago by kallay	Replies:3 Views:306	Last Post by kallay 1 month 3 weeks ago
UKS/UCCSD(T) Topic started 8 months 1 week ago, by vvp Last Post 2 months 6 days ago by vvp	Replies:2 Views:457	Last Post by vvp 2 months 6 days ago
The choice of MP2 energy from FNO-CCSD(T) computations Topic started 3 months 1 week ago, by bkwx97 Last Post 3 months 1 week ago by nagypeter	Replies:1 Views:168	Last Post by nagypeter 3 months 1 week ago
2021 release? Topic started 1 year 7 months ago, by Nike Last Post 4 months 5 days ago by Nike	Replies:1 Views:880	Last Post by Nike 4 months 5 days ago
Core-valence calculations with LCCSD(T) and large basis sets Topic started 4 months 2 weeks ago, by EugeneP Last Post 4 months 2 weeks ago by EugeneP	Replies:0 Views:209	Last Post by EugeneP 4 months 2 weeks ago
Cube file with electron densities Topic started 3 years 11 months ago, by philip Last Post 7 months 3 weeks ago by SteveCoyMR	Replies:3 Views:3905	Last Post by SteveCoyMR 7 months 3 weeks ago
Different CC energy with localized orbitals Topic started 1 year 2 months ago, by benedek1231 Last Post 1 year 1 month ago by nagypeter	Replies:1 Views:640	Last Post by nagypeter 1 year 1 month ago
Error with transition metal calculations? Topic started 1 year 2 months ago, by bparseghian Last Post 1 year 2 months ago by bparseghian	Replies:2 Views:686	Last Post by bparseghian 1 year 2 months ago
FNO-CCSD(T) Topic started 1 year 3 months ago, by chburger Last Post 1 year 3 months ago by nagypeter	Replies:1 Views:722	Last Post by nagypeter 1 year 3 months ago
"Total CCSD energy" not identical in CCSD and CCSD(T) calculations Topic started 1 year 3 months ago, by benedek1231 Last Post 1 year 3 months ago by benedek1231	Replies:0 Views:696	Last Post by benedek1231 1 year 3 months ago
relaxed cc densities from gaofile Topic started 1 year 5 months ago, by huangbi Last Post 1 year 5 months ago by huangbi	Replies:0 Views:744	Last Post by huangbi 1 year 5 months ago
FCIDUMP generation Topic started 1 year 5 months ago, by benedek1231 Last Post 1 year 5 months ago by kallay	Replies:1 Views:767	Last Post by kallay 1 year 5 months ago
IO syntax error for ccsdt/acv6z for Ne atom Topic started 1 year 5 months ago, by huangbi Last Post 1 year 5 months ago by huangbi	Replies:2 Views:732	Last Post by huangbi 1 year 5 months ago
Does the 2020 release support reading from externally built fort.55? Topic started 1 year 6 months ago, by xwang862 Last Post 1 year 6 months ago by xwang862	Replies:0 Views:740	Last Post by xwang862 1 year 6 months ago
Frozen orbitals Topic started 6 years 4 months ago, by Ziaei Last Post 1 year 6 months ago by xwang862	Replies:2 Views:2944	Last Post by xwang862 1 year 6 months ago
wrong ovos-ccsdt gradient Topic started 1 year 6 months ago, by huangbi Last Post 1 year 6 months ago by kallay 1 2	Replies:6 Views:1920	Last Post by kallay 1 year 6 months ago
Strange "drpa" memory issue Topic started 1 year 6 months ago, by benedek1231 Last Post 1 year 6 months ago by nagypeter	Replies:3 Views:893	Last Post by nagypeter 1 year 6 months ago
Saving Molpro MO's and restarting with MRCC Topic started 1 year 7 months ago, by bkwx97 Last Post 1 year 7 months ago by kallay	Replies:1 Views:731	Last Post by kallay 1 year 7 months ago

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General Questions 110 topics

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