mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-09-01 13:43:40 +02:00
Revert 63a74c8
This commit is contained in:
parent
1a708bcb81
commit
8245c7b3f7
@ -121,6 +121,7 @@ def ninja_create_env_variable(pwd_config_file):
|
|||||||
|
|
||||||
l_string.append("LIB = {0} ".format(str_lib))
|
l_string.append("LIB = {0} ".format(str_lib))
|
||||||
|
|
||||||
|
l_string.append("CONFIG_FILE = {0}".format(pwd_config_file))
|
||||||
l_string.append("")
|
l_string.append("")
|
||||||
|
|
||||||
return l_string
|
return l_string
|
||||||
|
@ -1097,7 +1097,7 @@ implicit none
|
|||||||
integer nptsgridmax,nptsgrid
|
integer nptsgridmax,nptsgrid
|
||||||
double precision coefs_pseudo,ptsgrid
|
double precision coefs_pseudo,ptsgrid
|
||||||
parameter(nptsgridmax=50)
|
parameter(nptsgridmax=50)
|
||||||
double precision common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3)
|
common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3)
|
||||||
!!!!!
|
!!!!!
|
||||||
integer npower_orb(3),l,m,i
|
integer npower_orb(3),l,m,i
|
||||||
double precision x,g_orb,two_pi,dx,dphi,term,orb_phi,ylm_real,sintheta,r_orb,phi,center_orb(3)
|
double precision x,g_orb,two_pi,dx,dphi,term,orb_phi,ylm_real,sintheta,r_orb,phi,center_orb(3)
|
||||||
@ -1238,7 +1238,7 @@ end
|
|||||||
double precision coefs_pseudo,ptsgrid
|
double precision coefs_pseudo,ptsgrid
|
||||||
double precision p,q,r,s
|
double precision p,q,r,s
|
||||||
parameter(nptsgridmax=50)
|
parameter(nptsgridmax=50)
|
||||||
double precision common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3)
|
common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3)
|
||||||
|
|
||||||
p=1.d0/dsqrt(2.d0)
|
p=1.d0/dsqrt(2.d0)
|
||||||
q=1.d0/dsqrt(3.d0)
|
q=1.d0/dsqrt(3.d0)
|
||||||
|
Loading…
Reference in New Issue
Block a user