Loading Makefile.version +1 −1 Original line number Diff line number Diff line Loading @@ -7,7 +7,7 @@ export PROJARCH=$(PROJECT)-$(VERSION_MAJOR).$(VERSION_MINOR) export VERSION_MAJOR=1 export VERSION_MINOR=0 export VERSION_RELEASE=1 export VERSION_RELEASE=2 git_rev=$(shell git rev-parse --short HEAD 2> /dev/null) ifeq "$(git_rev)" "" Loading python/Makefile +4 −1 Original line number Diff line number Diff line Loading @@ -11,12 +11,15 @@ endif ifeq "$(VERSION_MINOR)" "" VERSION_MINOR=undef endif ifeq "$(VERSION_RELEASE)" "" VERSION_RELEASE=undef endif all: build build: @echo '# -- AUTOMATICALLY CREATED DO NOT EDIT' > $(VERSION_FILE) @echo '__version__ = "$(VERSION_MAJOR).$(VERSION_MINOR)"' >> $(VERSION_FILE) @echo '__version__ = "$(VERSION_MAJOR).$(VERSION_MINOR).$(VERSION_RELEASE)"' >> $(VERSION_FILE) @$(PYTHON) setup.py build install: Loading python/drspine/drspine.py +11 −1 Original line number Diff line number Diff line Loading @@ -39,6 +39,15 @@ def _remove_empty_lines(lines, strip=True): else: yield line def load_txt(filename, delimiter=',', cleanup=[]): """ """ with open(filename) as fd: data = fd.readlines() for remove in cleanup: data = [ line for line in data if not remove in line] return np.loadtxt(data, delimiter=delimiter) #s = np.loadtxt(filename, delimiter=',') def fit_sqt(q, data, model='diffusion', **kwargs): """ fit F(Q,t) = S(Q,t)/S(Q,0) according to a model Loading Loading @@ -252,7 +261,8 @@ def plot_sqt_bin(filename, full_bw=False, save=False): # 9,10 : udratio, e_udratio (sig) #11,12 : chisq (res), chisq (sig) s = np.loadtxt(filename, delimiter=',') #s = np.loadtxt(filename, delimiter=',') s = load_txt(filename, delimiter=',', cleanup=['NaN', 'Infinity']) f = s[s[:,0]==0] # only full band width t = s[s[:,0]>0] # all but full band width Loading sources/module_gen_makro.f90 +2 −2 Original line number Diff line number Diff line Loading @@ -421,8 +421,8 @@ rl: do read(line(iq+3:itemp),*) q (iread) read(line(itemp+3:ilam),*) temp (iread) read(line(ilam+5:ilam+10),*) lambda(iread) sample (iread) = line(i1+7:iq) datum (iread) = line(ilam+14:ilam+38) sample (iread) = line(max(i1+7,1):min(iq,llen)) ! silenced F08 warning datum (iread) = line(max(ilam+14,1):min(ilam+38,llen)) ico = min(max(index(line," >"),ilam+39),llent-1) icoe = min(max(index(line,"< "),ico+1),llent) comment(iread) = line(ico+2:icoe-1) Loading sources/slatec.f90 +12 −2 Original line number Diff line number Diff line Loading @@ -125,6 +125,7 @@ !! 891214 Prologue converted to Version 4.0 format. (BAB) !! 920310 Corrected definition of LX in DESCRIPTION. (WRB) !! 920501 Reformatted the REFERENCES section. (WRB) !! 191026 Replaced arithmetic if with regular if (PAZ) !! ***END PROLOGUE DAXPY DOUBLE PRECISION DX(*), DY(*), DA INTEGER N Loading @@ -134,7 +135,11 @@ INTEGER M, MP1, NS !! ***FIRST EXECUTABLE STATEMENT DAXPY IF (N.LE.0 .OR. DA.EQ.0.0D0) RETURN IF (INCX .EQ. INCY) IF (INCX-1) 5,20,60 IF (INCX .EQ. INCY) THEN IF ((INCX-1).LT.0) GOTO 5 IF ((INCX-1).GT.0) GOTO 60 GOTO 20 END IF !! !! Code for unequal or nonpositive increments. !! Loading Loading @@ -221,6 +226,7 @@ !! 891214 Prologue converted to Version 4.0 format. (BAB) !! 920310 Corrected definition of LX in DESCRIPTION. (WRB) !! 920501 Reformatted the REFERENCES section. (WRB) !! 191026 Replaced arithmetic if with regular (PAZ) !! ***END PROLOGUE DDOT DOUBLE PRECISION DX(*), DY(*) INTEGER N, INCX, INCY Loading @@ -229,7 +235,11 @@ !! ***FIRST EXECUTABLE STATEMENT DDOT DDOT = 0.0D0 IF (N .LE. 0) RETURN IF (INCX .EQ. INCY) IF (INCX-1) 5,20,60 IF (INCX .EQ. INCY) THEN IF ((INCX-1).LT.0) GOTO 5 IF ((INCX-1).GT.0) GOTO 60 GOTO 20 END IF !! !! Code for unequal or nonpositive increments. !! Loading Loading
Makefile.version +1 −1 Original line number Diff line number Diff line Loading @@ -7,7 +7,7 @@ export PROJARCH=$(PROJECT)-$(VERSION_MAJOR).$(VERSION_MINOR) export VERSION_MAJOR=1 export VERSION_MINOR=0 export VERSION_RELEASE=1 export VERSION_RELEASE=2 git_rev=$(shell git rev-parse --short HEAD 2> /dev/null) ifeq "$(git_rev)" "" Loading
python/Makefile +4 −1 Original line number Diff line number Diff line Loading @@ -11,12 +11,15 @@ endif ifeq "$(VERSION_MINOR)" "" VERSION_MINOR=undef endif ifeq "$(VERSION_RELEASE)" "" VERSION_RELEASE=undef endif all: build build: @echo '# -- AUTOMATICALLY CREATED DO NOT EDIT' > $(VERSION_FILE) @echo '__version__ = "$(VERSION_MAJOR).$(VERSION_MINOR)"' >> $(VERSION_FILE) @echo '__version__ = "$(VERSION_MAJOR).$(VERSION_MINOR).$(VERSION_RELEASE)"' >> $(VERSION_FILE) @$(PYTHON) setup.py build install: Loading
python/drspine/drspine.py +11 −1 Original line number Diff line number Diff line Loading @@ -39,6 +39,15 @@ def _remove_empty_lines(lines, strip=True): else: yield line def load_txt(filename, delimiter=',', cleanup=[]): """ """ with open(filename) as fd: data = fd.readlines() for remove in cleanup: data = [ line for line in data if not remove in line] return np.loadtxt(data, delimiter=delimiter) #s = np.loadtxt(filename, delimiter=',') def fit_sqt(q, data, model='diffusion', **kwargs): """ fit F(Q,t) = S(Q,t)/S(Q,0) according to a model Loading Loading @@ -252,7 +261,8 @@ def plot_sqt_bin(filename, full_bw=False, save=False): # 9,10 : udratio, e_udratio (sig) #11,12 : chisq (res), chisq (sig) s = np.loadtxt(filename, delimiter=',') #s = np.loadtxt(filename, delimiter=',') s = load_txt(filename, delimiter=',', cleanup=['NaN', 'Infinity']) f = s[s[:,0]==0] # only full band width t = s[s[:,0]>0] # all but full band width Loading
sources/module_gen_makro.f90 +2 −2 Original line number Diff line number Diff line Loading @@ -421,8 +421,8 @@ rl: do read(line(iq+3:itemp),*) q (iread) read(line(itemp+3:ilam),*) temp (iread) read(line(ilam+5:ilam+10),*) lambda(iread) sample (iread) = line(i1+7:iq) datum (iread) = line(ilam+14:ilam+38) sample (iread) = line(max(i1+7,1):min(iq,llen)) ! silenced F08 warning datum (iread) = line(max(ilam+14,1):min(ilam+38,llen)) ico = min(max(index(line," >"),ilam+39),llent-1) icoe = min(max(index(line,"< "),ico+1),llent) comment(iread) = line(ico+2:icoe-1) Loading
sources/slatec.f90 +12 −2 Original line number Diff line number Diff line Loading @@ -125,6 +125,7 @@ !! 891214 Prologue converted to Version 4.0 format. (BAB) !! 920310 Corrected definition of LX in DESCRIPTION. (WRB) !! 920501 Reformatted the REFERENCES section. (WRB) !! 191026 Replaced arithmetic if with regular if (PAZ) !! ***END PROLOGUE DAXPY DOUBLE PRECISION DX(*), DY(*), DA INTEGER N Loading @@ -134,7 +135,11 @@ INTEGER M, MP1, NS !! ***FIRST EXECUTABLE STATEMENT DAXPY IF (N.LE.0 .OR. DA.EQ.0.0D0) RETURN IF (INCX .EQ. INCY) IF (INCX-1) 5,20,60 IF (INCX .EQ. INCY) THEN IF ((INCX-1).LT.0) GOTO 5 IF ((INCX-1).GT.0) GOTO 60 GOTO 20 END IF !! !! Code for unequal or nonpositive increments. !! Loading Loading @@ -221,6 +226,7 @@ !! 891214 Prologue converted to Version 4.0 format. (BAB) !! 920310 Corrected definition of LX in DESCRIPTION. (WRB) !! 920501 Reformatted the REFERENCES section. (WRB) !! 191026 Replaced arithmetic if with regular (PAZ) !! ***END PROLOGUE DDOT DOUBLE PRECISION DX(*), DY(*) INTEGER N, INCX, INCY Loading @@ -229,7 +235,11 @@ !! ***FIRST EXECUTABLE STATEMENT DDOT DDOT = 0.0D0 IF (N .LE. 0) RETURN IF (INCX .EQ. INCY) IF (INCX-1) 5,20,60 IF (INCX .EQ. INCY) THEN IF ((INCX-1).LT.0) GOTO 5 IF ((INCX-1).GT.0) GOTO 60 GOTO 20 END IF !! !! Code for unequal or nonpositive increments. !! Loading