forked from sanshar/Block
-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathblock_calldmrg.h
46 lines (40 loc) · 1.09 KB
/
block_calldmrg.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
#ifndef __BLOCK_CALL_DMRG_H
#define __BLOCK_CALL_DMRG_H
#include "molcas_types.h"
extern "C" {
void block_calldmrg_ (
const FORTINT* Restart, // 0 to full calc., 1 to restart
const FORTINT* N_roots,
const FORTINT* N_act,
const FORTINT* N_elec,
const FORTINT* M_s,
const char* Sym,
const FORTINT* iSym,
const FORTINT* OrbSym,
const double* E_core,
const double* h0,
const double* tuvx,
const FORTINT* M_state,
const FORTINT* N_pdm,
const double* T_sweep,
const double* T_noise,
double* E_sweep);
} // extern "C"
void block_calldmrg (
const FORTINT& Restart,
const FORTINT& N_roots,
const FORTINT& N_act,
const FORTINT& N_elec,
const FORTINT& M_s,
const char* Sym,
const FORTINT& iSym,
const FORTINT* OrbSym,
const double& E_core,
const double* h0,
const double* tuvx,
const FORTINT& M_state,
const FORTINT& N_pdm,
const double& T_sweep,
const double& T_noise,
double* E_sweep);
#endif // __BLOCK_CALL_DMRG_H