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Working continuum metric calculation code

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This commit is contained in:
Alex Selimov 2020-10-20 01:03:31 -04:00
parent 95e2ad0b4d
commit 6e08517697
8 changed files with 531 additions and 10 deletions
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10
src/elements.f90
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@ -747,24 +747,30 @@ module elements
!Allocate element arrays
if (n > 0) then
if (allocated(force_node)) then
deallocate(force_node, virial_node, energy_node)
end if
allocate(force_node(3,max_basisnum, max_ng_node, n), &
virial_node(6,max_basisnum, max_ng_node, n), &
energy_node(max_basisnum,max_ng_node,n), &
stat=allostat)
if(allostat > 0) then
print *, "Error allocating element data arrays in mode_metric becaus of:", allostat
print *, "Error allocating element data arrays in mode_metric because of:", allostat
stop
end if
end if
if (m > 0) then
if (allocated(force_atom)) then
deallocate(force_atom, virial_atom, energy_atom)
end if
allocate(force_atom(3, m), &
virial_atom(6, m), &
energy_atom(m), &
stat=allostat)
if(allostat > 0) then
print *, "Error allocating atom data arrays in mode_metric becaus of:", allostat
print *, "Error allocating atom data arrays in mode_metric because of:", allostat
stop
end if
end if