NECI Program

Contents

Interfaces

Source Code

NECI

Interfaces

interface

  • subroutine necicore(iCacheFlag, tCPMD, tVASP, tMolpro_local, call_as_lib, int_name, filename_in, MemSize)

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in), optional :: iCacheFlag
    logical, intent(in), optional :: tCPMD
    logical, intent(in), optional :: tVASP
    logical, intent(in), optional :: tMolpro_local
    logical, intent(in), optional :: call_as_lib
    character(len=*), intent(in), optional :: int_name
    character(len=*), intent(in), optional :: filename_in
    integer(kind=int64), intent(in), optional :: MemSize

Source Code

    program NECI
        implicit none

#include "NECICore.h"

#ifdef DEBUG_
        write(stdout, *) "STARTING NECI"
#endif

        ! Indicate not called by CPMD, VASP, Molpro
        call NECICore()

    end program NECI