welcome: please sign in
location: Diff for "Develop/noxci/no1ci"
Differences between revisions 1 and 2
Revision 1 as of 2016-01-12 08:30:27
Size: 548
Editor: huangc
Comment:
Revision 2 as of 2016-01-12 08:30:47
Size: 544
Editor: huangc
Comment:
Deletions are marked like this. Additions are marked like this.
Line 3: Line 3:
]]||NOCI <<latex($\langle A_0\vert\tilde{H}\vert B_0\rangle=\langle A_0\vert H+\frac{1}{2}(\sum\hat{E}_{ij}^{ab}H+\sum H\hat{E}_{ij}^{ab})\vert B_0\rangle$)>> NOCI <<latex($\langle A_0\vert\tilde{H}\vert B_0\rangle=\langle A_0\vert H+\frac{1}{2}(\sum\hat{E}_{ij}^{ab}H+\sum H\hat{E}_{ij}^{ab})\vert B_0\rangle$)>>

INTEGER no1ci(DSCFINFO *pInfo,REAL *pEne);

NOCI $\langle A_0\vert\tilde{H}\vert B_0\rangle=\langle A_0\vert H+\frac{1}{2}(\sum\hat{E}_{ij}^{ab}H+\sum H\hat{E}_{ij}^{ab})\vert B_0\rangle$

HEADER: source/noxci/NoXci.h

LIB: libnoxci.a

SOURCE source/noxci/NoXci.cpp

DSCFINFO *pInfo

Input, pointer to DSCFINFO structure

REAL *pEne

Output, the lowest energy of no1ci (save to the address).

Return Code

INTEGER, 0 if succeeded, non-zero otherwise

Develop/noxci/no1ci (last edited 2016-01-12 08:40:15 by huangc)