General Questions 134 topics

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

Subject	Replies / Views	Last Post
Frozen orbitals Category: General Questions Topic started 9 years 2 weeks ago, by Ziaei Last Post 4 years 3 months ago by xwang862	Replies:2 Views:4421	Last Post by xwang862 4 years 3 months ago
wrong ovos-ccsdt gradient Category: General Questions Topic started 4 years 3 months ago, by huangbi Last Post 4 years 3 months ago by kallay 1 2	Replies:6 Views:5828	Last Post by kallay 4 years 3 months ago
Strange "drpa" memory issue Category: General Questions Topic started 4 years 3 months ago, by benedek1231 Last Post 4 years 3 months ago by nagypeter	Replies:3 Views:2406	Last Post by nagypeter 4 years 3 months ago
Saving Molpro MO's and restarting with MRCC Category: General Questions Topic started 4 years 3 months ago, by bkwx97 Last Post 4 years 3 months ago by kallay	Replies:1 Views:2485	Last Post by kallay 4 years 3 months ago
"ccmaxit" keyword does not work in some cases Category: General Questions Topic started 4 years 4 months ago, by benedek1231 Last Post 4 years 4 months ago by Nike	Replies:2 Views:2204	Last Post by Nike 4 years 4 months ago
convert pyscf integrals to mrcc format Category: General Questions Topic started 4 years 6 months ago, by huangbi Last Post 4 years 6 months ago by nagypeter	Replies:1 Views:2414	Last Post by nagypeter 4 years 6 months ago
Two questions Category: General Questions Topic started 4 years 6 months ago, by dmsamosvat Last Post 4 years 6 months ago by nagypeter	Replies:1 Views:2200	Last Post by nagypeter 4 years 6 months ago
LNO-MP2 calculations from LNO-CCSD(T) Category: General Questions Topic started 4 years 6 months ago, by cnaim94 Last Post 4 years 6 months ago by nagypeter	Replies:1 Views:2538	Last Post by nagypeter 4 years 6 months ago
Analytic polarizability and dipole moments Category: General Questions Topic started 4 years 6 months ago, by cnaim94 Last Post 4 years 6 months ago by cnaim94	Replies:2 Views:2296	Last Post by cnaim94 4 years 6 months ago
calculation of DBOC Category: General Questions Topic started 4 years 8 months ago, by Lorenzo Last Post 4 years 8 months ago by Lorenzo 1 2	Replies:8 Views:7106	Last Post by Lorenzo 4 years 8 months ago
"Reference energy" with scftype=uks lower than scftype=uhf Category: General Questions Topic started 4 years 9 months ago, by benedek1231 Last Post 4 years 9 months ago by benedek1231	Replies:2 Views:2360	Last Post by benedek1231 4 years 9 months ago
CCSDt Active Space Truncation with MP2-FNOs Category: General Questions Topic started 4 years 9 months ago, by nlk36701 Last Post 4 years 9 months ago by kallay	Replies:3 Views:2383	Last Post by kallay 4 years 9 months ago
Hellmann-Feynman Forces Category: General Questions Topic started 4 years 9 months ago, by cdc Last Post 4 years 9 months ago by cdc	Replies:0 Views:2334	Last Post by cdc 4 years 9 months ago
Multireference input Category: General Questions Topic started 11 years 2 months ago, by Gess Last Post 5 years 2 weeks ago by kallay	Replies:5 Views:9251	Last Post by kallay 5 years 2 weeks ago
X2C and other relativistic Hamiltonians in MRCC Category: General Questions Topic started 5 years 3 months ago, by houqq Last Post 5 years 2 months ago by houqq	Replies:4 Views:3301	Last Post by houqq 5 years 2 months ago
State Specific (Mk) MRCC Availability Category: General Questions Topic started 5 years 3 months ago, by ghjones Last Post 5 years 3 months ago by ghjones	Replies:2 Views:2481	Last Post by ghjones 5 years 3 months ago
AO DM Category: General Questions Topic started 5 years 4 months ago, by Edums Last Post 5 years 4 months ago by Edums	Replies:2 Views:2640	Last Post by Edums 5 years 4 months ago
consider negative energy state Category: General Questions Topic started 5 years 5 months ago, by yanmeiyu Last Post 5 years 5 months ago by yanmeiyu	Replies:0 Views:2716	Last Post by yanmeiyu 5 years 5 months ago
ADC(2) density matrix and transition density matrix Category: General Questions Topic started 5 years 6 months ago, by Edums Last Post 5 years 6 months ago by Edums	Replies:2 Views:3079	Last Post by Edums 5 years 6 months ago
The difference between molpro and mrcc Category: General Questions Topic started 5 years 7 months ago, by jamcas Last Post 5 years 7 months ago by jamcas 1 2	Replies:6 Views:7769	Last Post by jamcas 5 years 7 months ago

Time to create page: 0.018 seconds

General Questions 134 topics

MRCC Login