From 7a920d21b9304ccd7a6512f7c33c268e7817e645 Mon Sep 17 00:00:00 2001 From: Diego Martinez Gutierrez <101260978+diegomartinez2@users.noreply.github.com> Date: Fri, 17 Jan 2025 19:40:56 +0100 Subject: [PATCH 1/4] Update pythonapp.yml Test with python 3.10 --- .github/workflows/pythonapp.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/pythonapp.yml b/.github/workflows/pythonapp.yml index 8bf19874..9260f66c 100644 --- a/.github/workflows/pythonapp.yml +++ b/.github/workflows/pythonapp.yml @@ -14,10 +14,10 @@ jobs: steps: - uses: actions/checkout@v1 - - name: Set up Python 3.7 + - name: Set up Python 3.10 uses: actions/setup-python@v1 with: - python-version: 3.7 + python-version: 3.10 - name: Install dependencies run: | python -m pip install --upgrade pip From 2a8d483c284ef71e70b394b622ff1d70ca85be52 Mon Sep 17 00:00:00 2001 From: Diego Martinez Gutierrez <101260978+diegomartinez2@users.noreply.github.com> Date: Fri, 17 Jan 2025 19:42:56 +0100 Subject: [PATCH 2/4] Update pythonapp.yml Test again --- .github/workflows/pythonapp.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/pythonapp.yml b/.github/workflows/pythonapp.yml index 9260f66c..9bf7cd87 100644 --- a/.github/workflows/pythonapp.yml +++ b/.github/workflows/pythonapp.yml @@ -14,10 +14,10 @@ jobs: steps: - uses: actions/checkout@v1 - - name: Set up Python 3.10 + - name: Set up Python 3.10.16 uses: actions/setup-python@v1 with: - python-version: 3.10 + python-version: 3.10.16 - name: Install dependencies run: | python -m pip install --upgrade pip From 68e09fdeb1360ea4d7bc32698858e098b2d14b6d Mon Sep 17 00:00:00 2001 From: Diego Martinez Gutierrez <101260978+diegomartinez2@users.noreply.github.com> Date: Fri, 17 Jan 2025 19:56:52 +0100 Subject: [PATCH 3/4] Update ForceTensor.py Fix np.infty error --- cellconstructor/ForceTensor.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/cellconstructor/ForceTensor.py b/cellconstructor/ForceTensor.py index 97f9aea9..97f2ce9b 100644 --- a/cellconstructor/ForceTensor.py +++ b/cellconstructor/ForceTensor.py @@ -408,7 +408,8 @@ def Center(self, nneigh=None, Far=2,tol=1.0e-5): nq2=self.supercell_size[2] # by default no maximum distances - dist_range=np.ones((self.nat))*np.infty + #dist_range=np.ones((self.nat))*np.infty + dist_range=np.ones((self.nat))*np.inf # if nneigh!=None: # ======================================================================= @@ -1520,7 +1521,8 @@ def Center(self, nneigh=None, Far=2,tol=1.0e-5): nq2=self.supercell_size[2] # by default no maximum distances - dist_range=np.ones((self.nat))*np.infty + #dist_range=np.ones((self.nat))*np.infty + dist_range=np.ones((self.nat))*np.inf # if nneigh!=None: # ======================================================================= From 26f98207afdb70fb74c33b7c5f5ce5d2c60e2917 Mon Sep 17 00:00:00 2001 From: Diego Martinez Gutierrez <101260978+diegomartinez2@users.noreply.github.com> Date: Fri, 17 Jan 2025 20:00:10 +0100 Subject: [PATCH 4/4] Update Spectral.py Fix np.infty error --- cellconstructor/Spectral.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/cellconstructor/Spectral.py b/cellconstructor/Spectral.py index 2304c4a2..488daeae 100644 --- a/cellconstructor/Spectral.py +++ b/cellconstructor/Spectral.py @@ -1945,7 +1945,8 @@ def findne(val,e0,de): else: xtriv=findne(wq[ifreq],e0,de) osval=np.real(z[xtriv-1,ism,ifreq]) - diff=np.infty + #diff=np.infty + diff=np.inf for x in range(ne): value=np.real(z[x,ism,ifreq])-energies_cm[x] if( abs(value ) < 2*de) : @@ -2661,7 +2662,8 @@ def findne(val,e0,de): else: xtriv=findne(wq[ifreq],e0,de) osval=np.real(z[xtriv-1,ism,ifreq]) - diff=np.infty + #diff=np.infty + diff=np.inf for x in range(ne): value=np.real(z[x,ism,ifreq])-energies_cm[x] if( abs(value ) < 2*de) :