|
| subroutine | xc_pw_derive_r3d_rs (pw, tmp_g, vxc_r, idir, xc_deriv_method_id, copy_to_vxcr, pw_g) |
| | Calculates the derivative of a function on a planewave grid in a given direction.
|
| |
| subroutine | xc_pw_derive_c1d_gs (pw, tmp_g, vxc_r, idir, xc_deriv_method_id, copy_to_vxcr, pw_g) |
| | Calculates the derivative of a function on a planewave grid in a given direction.
|
| |
Definition at line 42 of file xc_util.F.
◆ xc_pw_derive_r3d_rs()
| subroutine xc_util::xc_pw_derive::xc_pw_derive_r3d_rs |
( |
type(pw_r3d_rs_type), intent(in) |
pw, |
|
|
type(pw_c1d_gs_type), intent(inout) |
tmp_g, |
|
|
type(pw_r3d_rs_type), intent(inout) |
vxc_r, |
|
|
integer, intent(in) |
idir, |
|
|
integer, intent(in) |
xc_deriv_method_id, |
|
|
logical, intent(in), optional |
copy_to_vxcr, |
|
|
type(pw_c1d_gs_type), intent(in), optional |
pw_g |
|
) |
| |
Calculates the derivative of a function on a planewave grid in a given direction.
- Parameters
-
| pw | function to derive |
| tmp_g | temporary grid in reciprocal space, only required if derivative method is pw or spline |
| vxc_r | if tmp_g is not required, add derivative here |
| idir | direction of derivative |
| xc_deriv_method_id | ... |
| copy_to_vxcr | ... |
| pw_g | ... |
Definition at line 295 of file xc_util.F.
◆ xc_pw_derive_c1d_gs()
| subroutine xc_util::xc_pw_derive::xc_pw_derive_c1d_gs |
( |
type(pw_c1d_gs_type), intent(in) |
pw, |
|
|
type(pw_c1d_gs_type), intent(inout) |
tmp_g, |
|
|
type(pw_r3d_rs_type), intent(inout) |
vxc_r, |
|
|
integer, intent(in) |
idir, |
|
|
integer, intent(in) |
xc_deriv_method_id, |
|
|
logical, intent(in), optional |
copy_to_vxcr, |
|
|
type(pw_c1d_gs_type), intent(in), optional |
pw_g |
|
) |
| |
Calculates the derivative of a function on a planewave grid in a given direction.
- Parameters
-
| pw | function to derive |
| tmp_g | temporary grid in reciprocal space, only required if derivative method is pw or spline |
| vxc_r | if tmp_g is not required, add derivative here |
| idir | direction of derivative |
| xc_deriv_method_id | ... |
| copy_to_vxcr | ... |
| pw_g | ... |
Definition at line 376 of file xc_util.F.
The documentation for this interface was generated from the following file:
1.9.8