TB2J 0.9.7rc0__py3-none-any.whl → 0.9.8rc0__py3-none-any.whl

TB2J/MAEGreen.py

@@ -81,4 +81,4 @@ class MAEGreen(ExchangeNCL):
 
     def run(self, output_path="TB2J_anisotropy"):
         self.get_band_energy_vs_angles(self.thetas, self.phis)
-        self.output()
+        self.output(output_path=output_path)

TB2J/interfaces/siesta_interface.py

@@ -174,7 +174,7 @@ Warning: The DMI component parallel to the spin orientation, the Jani which has
             # thetas = [0, np.pi / 2, np.pi, 3 * np.pi / 2]
             # phis = [0, 0, 0, 0]
             # MAE.set_angles(thetas=thetas, phis=phis)
-            MAE.run(output_path=output_path)
+            MAE.run(output_path=f"{output_path}_anisotropy")
             print(
                 f"MAE calculation finished. The results are in {output_path} directory."
             )

{TB2J-0.9.7rc0.dist-info → TB2J-0.9.8rc0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TB2J
-Version: 0.9.7rc0
+Version: 0.9.8rc0
 Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
 Author: Xu He
 Author-email: mailhexu@gmail.com

{TB2J-0.9.7rc0.dist-info → TB2J-0.9.8rc0.dist-info}/RECORD

@@ -1,7 +1,7 @@
 TB2J/Jdownfolder.py,sha256=Rmg6KfQ-Lkhei5daTJ2POzr0XL-R1WM-rzUnDcfoDhc,9595
 TB2J/Jtensor.py,sha256=t6OsqrSlYW6Im4H7ykVAW8Al_pFXN4C5yj2UEsV6r7g,3181
 TB2J/MAE.py,sha256=9VwwLpUALaaVwn4LTnhSISJMT7MDym247sSKT5Rum0o,10989
-TB2J/MAEGreen.py,sha256=SkDct7cD5hDAAYW9Y3oYQZVt1AyLA53xDqLL1mT5Nq0,3461
+TB2J/MAEGreen.py,sha256=Xof-IBgGX5vDrf7Ezi-akM1q6q47xpac2yiz2JTcrBw,3484
 TB2J/Oiju.py,sha256=cNGv8N5uH_swGq7cnAt2OyiDfqtjLlLrwseGu0E4iaM,3383
 TB2J/Oiju_epc.py,sha256=oytM3NYW7nWmklrGgNlqwIpI_JYv_hb7ZnR4o9nYNog,6809
 TB2J/__init__.py,sha256=hcEWkag_UvLm1ZSbjsgcTWkGVlR3Bwmzg1QYAwsvf-g,24
@@ -40,7 +40,7 @@ TB2J/interfaces/__init__.py,sha256=4tiLoXQ73Nlyi9L4j8jJXOYzXluVNPxQZkwfkQZEGHg,3
 TB2J/interfaces/gpaw_interface.py,sha256=GCDlJ-hRWfChvWwsgBDYSmVqO4sH9HAuGZTV9GqgN6c,1504
 TB2J/interfaces/lawaf_interface.py,sha256=PieLnmppdafOYsgeHznqOou1g9L1sam5jOm3KaObdqo,4408
 TB2J/interfaces/manager.py,sha256=PQMLEfMCT5GnDWSl2nI4JOgRPm_fysyR-6Y6l97xWcw,860
-TB2J/interfaces/siesta_interface.py,sha256=1XOTZYM0uRBqdsTbDo86PZOM0J_uaiDZ9-gPW2PXooE,7704
+TB2J/interfaces/siesta_interface.py,sha256=fnGZ8lCRHD-_QXpsjBucRJ_PmKOOQ9Gv8QKW9RGLEEo,7720
 TB2J/interfaces/wannier90_interface.py,sha256=qzRgXUBb7t1Aiegrl_RV51BB8csdtVM0EP0Z4pjmTcs,4467
 TB2J/interfaces/abacus/__init__.py,sha256=leas71oCvM_HxrF4gnO5A_VKcJmDAgsI1BUctLU3OBw,177
 TB2J/interfaces/abacus/abacus_api.py,sha256=lNV4LNkLcKw7Zux4MQYM9wnh3eFTlcSqbf4Pb7pqhrk,7243
@@ -76,19 +76,19 @@ TB2J/spinham/supercell.py,sha256=y17uUC6r3gQb278FhxIW4CABihfLTvKFj6flyXrCPR8,122
 TB2J/wannier/__init__.py,sha256=7ojCbM84PYv1X1Tbo4NHI-d3gWmQsZB_xiYqbfxVV1E,80
 TB2J/wannier/w90_parser.py,sha256=dbd63LuKyv2DVUzqRINGsbDzEsOxsQyE8_Ear_LQIRg,4620
 TB2J/wannier/w90_tb_parser.py,sha256=qt8pnuprmPp9iIAYwPkPbmEzk6ZPgMq2xognoQp7vwc,4610
-TB2J-0.9.7rc0.data/scripts/TB2J_downfold.py,sha256=i4BVqnpDdgrX_amookVWeLGefGBn-qeAutWiwuY9SfQ,2099
-TB2J-0.9.7rc0.data/scripts/TB2J_eigen.py,sha256=Qs9v2hnMm2Tpfoa4h53muUKty2dZjwx8948MBoQooNg,1128
-TB2J-0.9.7rc0.data/scripts/TB2J_magnon.py,sha256=q7UwAmorRcFNk4tfE7gl_ny05l6p7pbD9Wm_LkIpKEw,3101
-TB2J-0.9.7rc0.data/scripts/TB2J_magnon_dos.py,sha256=TMXQvD2dIbO5FZ4tUMmxJgCgH2O2hDAPUNfEKO4z-x4,110
-TB2J-0.9.7rc0.data/scripts/TB2J_merge.py,sha256=y834SF4rIRn1L1ptkhczvavQpC-8Px6DTmDOOSaq_DE,1854
-TB2J-0.9.7rc0.data/scripts/TB2J_rotate.py,sha256=zgiDFuYZNmzKK0rwDmTaYD2OpRlmKA_VGeBx83w2Xwc,873
-TB2J-0.9.7rc0.data/scripts/TB2J_rotateDM.py,sha256=kCvF7gotuqAX1VnJ06cwfVm7RrhrdtiV5v7d9P2Pn_E,567
-TB2J-0.9.7rc0.data/scripts/abacus2J.py,sha256=_Wiu0NekWKNZ1XVAEBNQOWTi8hE_KXg6iGxfHgcdKqI,4396
-TB2J-0.9.7rc0.data/scripts/siesta2J.py,sha256=wQ9fbyiVyau7WwfusNvHxqBGfD_9_7GZmYZ6pqe6RaM,4806
-TB2J-0.9.7rc0.data/scripts/wann2J.py,sha256=pTFDf6h72I_LN_NX5UivyCoJPgwvyAyHW175nSAJvLo,2987
-TB2J-0.9.7rc0.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
-TB2J-0.9.7rc0.dist-info/METADATA,sha256=kFTVwu8e7Fcb9srTmKweSf8AmnGq636h4Fu3Ix-e5Tk,1482
-TB2J-0.9.7rc0.dist-info/WHEEL,sha256=R0nc6qTxuoLk7ShA2_Y-UWkN8ZdfDBG2B6Eqpz2WXbs,91
-TB2J-0.9.7rc0.dist-info/entry_points.txt,sha256=Hdz1WC9waUzyFVmowKnbbZ6j-J4adHh_Ko6JpxGYAtE,131
-TB2J-0.9.7rc0.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
-TB2J-0.9.7rc0.dist-info/RECORD,,
+TB2J-0.9.8rc0.data/scripts/TB2J_downfold.py,sha256=i4BVqnpDdgrX_amookVWeLGefGBn-qeAutWiwuY9SfQ,2099
+TB2J-0.9.8rc0.data/scripts/TB2J_eigen.py,sha256=Qs9v2hnMm2Tpfoa4h53muUKty2dZjwx8948MBoQooNg,1128
+TB2J-0.9.8rc0.data/scripts/TB2J_magnon.py,sha256=q7UwAmorRcFNk4tfE7gl_ny05l6p7pbD9Wm_LkIpKEw,3101
+TB2J-0.9.8rc0.data/scripts/TB2J_magnon_dos.py,sha256=TMXQvD2dIbO5FZ4tUMmxJgCgH2O2hDAPUNfEKO4z-x4,110
+TB2J-0.9.8rc0.data/scripts/TB2J_merge.py,sha256=y834SF4rIRn1L1ptkhczvavQpC-8Px6DTmDOOSaq_DE,1854
+TB2J-0.9.8rc0.data/scripts/TB2J_rotate.py,sha256=zgiDFuYZNmzKK0rwDmTaYD2OpRlmKA_VGeBx83w2Xwc,873
+TB2J-0.9.8rc0.data/scripts/TB2J_rotateDM.py,sha256=kCvF7gotuqAX1VnJ06cwfVm7RrhrdtiV5v7d9P2Pn_E,567
+TB2J-0.9.8rc0.data/scripts/abacus2J.py,sha256=_Wiu0NekWKNZ1XVAEBNQOWTi8hE_KXg6iGxfHgcdKqI,4396
+TB2J-0.9.8rc0.data/scripts/siesta2J.py,sha256=wQ9fbyiVyau7WwfusNvHxqBGfD_9_7GZmYZ6pqe6RaM,4806
+TB2J-0.9.8rc0.data/scripts/wann2J.py,sha256=pTFDf6h72I_LN_NX5UivyCoJPgwvyAyHW175nSAJvLo,2987
+TB2J-0.9.8rc0.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
+TB2J-0.9.8rc0.dist-info/METADATA,sha256=XKUGQDgTBqQTcSjOD6XFHS1YP0Q7i__Gofl6G0lFeEU,1482
+TB2J-0.9.8rc0.dist-info/WHEEL,sha256=R0nc6qTxuoLk7ShA2_Y-UWkN8ZdfDBG2B6Eqpz2WXbs,91
+TB2J-0.9.8rc0.dist-info/entry_points.txt,sha256=Hdz1WC9waUzyFVmowKnbbZ6j-J4adHh_Ko6JpxGYAtE,131
+TB2J-0.9.8rc0.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
+TB2J-0.9.8rc0.dist-info/RECORD,,