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Minor changes. 

Change the defaut size of a figure
Change the IRTL variable range
Change the values of parameters in phagen include files
Fix a small bug in phagen
This commit is contained in:
Sylvain Tricot 2025-06-16 14:42:03 +02:00
parent e356fbfbf4
commit b15a5424d2
5 changed files with 14 additions and 14 deletions
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6
src/msspec/iodata.py
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@ -17,7 +17,7 @@
# along with this msspec. If not, see <http://www.gnu.org/licenses/>. # along with this msspec. If not, see <http://www.gnu.org/licenses/>.
# #
# Source file : src/msspec/iodata.py # Source file : src/msspec/iodata.py
# Last modified: Thu, 27 Feb 2025 16:33:09 +0100 # Last modified: Mon, 16 Jun 2025 14:42:03 +0200
# Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr> # Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr>
@ -873,7 +873,7 @@ class _DataSetView(object):
def get_figure(self): def get_figure(self):
opts = self._plotopts opts = self._plotopts
figure = Figure() figure = Figure(figsize=(3,2))
axes = None axes = None
proj = opts['projection'] proj = opts['projection']
scale = opts['scale'] scale = opts['scale']
@ -1078,7 +1078,7 @@ if has_gui:
self._filename = None self._filename = None
self._current_dset = None self._current_dset = None
wx.Frame.__init__(self, None, title="", size=(640, 480)) wx.Frame.__init__(self, None, title="", size=(800, 600))
self.Bind(wx.EVT_CLOSE, self.on_close) self.Bind(wx.EVT_CLOSE, self.on_close)

4
src/msspec/parameters.py
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@ -19,7 +19,7 @@
# along with this msspec. If not, see <http://www.gnu.org/licenses/>. # along with this msspec. If not, see <http://www.gnu.org/licenses/>.
# #
# Source file : src/msspec/parameters.py # Source file : src/msspec/parameters.py
# Last modified: Tue, 29 Apr 2025 11:49:20 +0200 # Last modified: Mon, 16 Jun 2025 14:42:03 +0200
# Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr> # Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr>
@ -621,7 +621,7 @@ class SpecParameters(BaseParameters):
fmt='d'), fmt='d'),
Parameter('calc_irdia', types=int, limits=[0, 1], default=0, Parameter('calc_irdia', types=int, limits=[0, 1], default=0,
fmt='d'), fmt='d'),
Parameter('calc_itrtl', types=int, limits=[1, 9], default=7, Parameter('calc_itrtl', types=int, limits=[0, 9], default=0,
fmt='d'), fmt='d'),
Parameter('calc_itest', types=int, limits=[0, 2], default=0, Parameter('calc_itest', types=int, limits=[0, 2], default=0,
fmt='d'), fmt='d'),

6
src/msspec/phagen/fortran/msxas3.inc
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@ -1,7 +1,7 @@
c.. dimensions for the program c.. dimensions for the program
integer ua_ integer ua_
parameter ( nat_ = 100, parameter ( nat_ = 4000,
$ ua_ = 100, $ ua_ = 4000,
$ neq_ = 48, $ neq_ = 48,
$ thrs = -0.001d0 ) $ thrs = -0.001d0 )
C C
@ -33,7 +33,7 @@ c
integer fl_, rdx_ integer fl_, rdx_
c c
parameter ( rdx_ = 1600, parameter ( rdx_ = 1600,
$ lmax_ = 50, $ lmax_ = 80,
$ npss = lmax_ + 2, $ npss = lmax_ + 2,
$ fl_ = 2*npss + 1, $ fl_ = 2*npss + 1,
$ nef_ = 10, $ nef_ = 10,

6
src/msspec/phagen/fortran/msxast3.inc
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@ -1,7 +1,7 @@
c.. dimensions for the program c.. dimensions for the program
integer ua_ integer ua_
parameter ( nat_ = 100, parameter ( nat_ = 4000,
$ ua_ = 100, $ ua_ = 4000,
$ neq_ = 48, $ neq_ = 48,
$ thrs = -0.001d0 ) $ thrs = -0.001d0 )
C C
@ -33,7 +33,7 @@ c
integer fl_, rdx_ integer fl_, rdx_
c c
parameter ( rdx_ = 1600, parameter ( rdx_ = 1600,
$ lmax_ = 50, $ lmax_ = 80,
$ npss = lmax_ + 2, $ npss = lmax_ + 2,
$ fl_ = 2*npss + 1, $ fl_ = 2*npss + 1,
$ nef_ = 10, $ nef_ = 10,

6
src/msspec/phagen/fortran/phagen_scf.f
View File

@ -14625,9 +14625,9 @@ c check = .true.
if ( .not. do_r_in ) then if ( .not. do_r_in ) then
! if ( do_r_in ) then ! if ( do_r_in ) then
i = 1 ! i = 1
! !
do do i=1, kmax
! !
if ( r_real ( i ) > r_in ) then if ( r_real ( i ) > r_in ) then
@ -14635,7 +14635,7 @@ c check = .true.
end if end if
! !
i = i + 1 ! i = i + 1
end do end do
! !