Path |
Digest |
Size |
HTPolyNet/__init__.py |
sha256=oLxp9WFmOEHXznaW-x3aLtC0a-wHuYrZPtJwMaCyZak
|
26 |
HTPolyNet/ambertools.py |
sha256=fkkSlYqjoue0agb-PKa_Vz_imBlA0QPtxHT1LFZq3sc
|
4295 |
HTPolyNet/analyze.py |
sha256=rmJzT4UwNOYoizfRJjgM9H2kz34_shht7e2uSE9fuc4
|
9376 |
HTPolyNet/banner.py |
sha256=GzmSt8wG_UdiuxAv2A9HmMluwYo-Kp2f83uPsbNCES8
|
926 |
HTPolyNet/bondlist.py |
sha256=xEeTp8pFNYvv1Ummvv1Q0VKur9I-MJgSjwX8SA3S6qE
|
6332 |
HTPolyNet/bondtemplate.py |
sha256=yPQcUE8s7uCqAPB4kSj4aACb2_aKXqHn5AGjW63lc-Q
|
5524 |
HTPolyNet/chain.py |
sha256=67DMaEQGZwzKbPDWvs_1p6T1C0IUtRf1nJtSNeqH2Gg
|
4917 |
HTPolyNet/checkpoint.py |
sha256=uDKlnJEHc6TNF0bqLDqbjxxenhJpKnQ8S9mNUQerxUs
|
3051 |
HTPolyNet/command.py |
sha256=CEJ3z-NklYKiGmiFb_w4sNDxWOHdxFKCxoc4gcoikHs
|
1817 |
HTPolyNet/configuration.py |
sha256=-OMvTZ-D0iVXw_JNYN_rzoaf8ypuziW-5jS2q2Jj2Xc
|
9579 |
HTPolyNet/coordinates.py |
sha256=SscD8KFC-kU_FIOxB1ZKjLaF3H46tqXrDVf8zCPJ9eE
|
48231 |
HTPolyNet/countTime.py |
sha256=S8zgtmjI6EFq26suXz5m0AZE9qgSJ9blWFUQ40e_lvY
|
704 |
HTPolyNet/curecontroller.py |
sha256=Ubg4YDe648Ed7ZPX7NKrJVL2ee827Xy5s-vVsw74kvQ
|
36806 |
HTPolyNet/dataframetools.py |
sha256=ZSmxCWi7rliLcEFXgBza7tnix26T7TCOF-L0mP9VOOo
|
5200 |
HTPolyNet/driver.py |
sha256=_YEr37yf0x0DoM9ENYZx_oRX7uztMnEc1eIuNlzGagA
|
15337 |
HTPolyNet/expandreactions.py |
sha256=xqZUp9h03aZXVMqWlIzYs9sWAdJNlcZAeAE8fSFL21g
|
7661 |
HTPolyNet/gromacs.py |
sha256=8_RUaBPAlQfw-Wwn7MObzU50K7TP4dQxhsPEFSnEyXQ
|
13329 |
HTPolyNet/inputcheck.py |
sha256=zpkd87tpDCZs0yTyPerZtKs81Hh82zWEoIDvgNuLoYg
|
2146 |
HTPolyNet/linkcell.py |
sha256=_Nx5Z_0kVrz-2tOxRRh9bSINl--vmKR4gdpzxUdZq3U
|
12840 |
HTPolyNet/matrix4.py |
sha256=8TeyqwY9SDBu9JqkGzqOBxjd0RNaKD-6nspS0w9Dczk
|
3567 |
HTPolyNet/molecule.py |
sha256=ZTOVtVDaQeOpI9_Xwm08Y5cag33YTE9sh-IK79hwSpU
|
60276 |
HTPolyNet/plot.py |
sha256=mc1iE3DTJ1yxhXQBmhA2vnCBI9QV9D3uAKepMF8ZkKg
|
25485 |
HTPolyNet/postsim.py |
sha256=nIRHL3pVtZU6y0nY67aN3u7KjybY0hJr28NoAhoUAj8
|
17122 |
HTPolyNet/projectfilesystem.py |
sha256=IKEijm647krqCfl9aF_wFNC9cTJY9KlYICPdJwDShuI
|
19101 |
HTPolyNet/reaction.py |
sha256=RI919RNfRtRBG1EEma1fmDPxTXwRc2P_SlUmov0Zud0
|
10988 |
HTPolyNet/ring.py |
sha256=ZzmYX3B1C2Uo66p5Dy1yfCRbpE9rrlzjnYHTh-otsaU
|
10793 |
HTPolyNet/runtime.py |
sha256=HyqDlbHkw6yDSL2f_0AO1inzRpygQcHrG3_tkfTjdIM
|
33494 |
HTPolyNet/software.py |
sha256=lvLpQDuUi4DYmF5t9rlc_D3gqW-Vu3PmHvOmsgM60vc
|
3645 |
HTPolyNet/stringthings.py |
sha256=Mr6o55EM8o4YAaVYpjIJj2IxDToNdbPzb-lpQ3w3jFk
|
1176 |
HTPolyNet/topocoord.py |
sha256=lM3y4VCoP6DLuUYd6q-Tp8cb-vT5rc60u1YrU3-kpZs
|
104128 |
HTPolyNet/topology.py |
sha256=gu0p6PXtDixsN2twiT8d6peicchSMJQv6r5TIS2c6Sk
|
58810 |
HTPolyNet/unused_symmetry_stuff.py |
sha256=JRPfOyOfcDI74ZQy1SgNNkDHhQYUoqoteykC3zv-ydA
|
13459 |
HTPolyNet/utils.py |
sha256=ROwcOaco5dxMqIssV0b8pgRSmr0gx8Nr7Czwucq6_Ck
|
17831 |
HTPolyNet/resources/README.md |
sha256=epKLyqtcxtQOSzTYvaGlwhz970UA4vAU7r-iSBbbpmA
|
1432 |
HTPolyNet/resources/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
HTPolyNet/resources/cfg/DGE-PAC-hi.yaml |
sha256=398rNMjSGswApv46xrJQIIymI8ulPMxuoZ4BHJZFwys
|
2826 |
HTPolyNet/resources/cfg/DGE-PAC-lo.yaml |
sha256=X3kUxNQkfEuntlhlo14ZtGGWOgKVyrWb5enh26gPM3g
|
2826 |
HTPolyNet/resources/cfg/FDE-DFDA-hi.yaml |
sha256=jeN1s1Xb-lB-izI4pMcwCboDRAAevP42FzlGRxcSUgM
|
2796 |
HTPolyNet/resources/cfg/FDE-DFDA-lo.yaml |
sha256=nHJc-Nosa9riDgx9Th29zRZVjqjiqZ5dNok9iOv2xDY
|
2796 |
HTPolyNet/resources/cfg/GMASTY-hi.yaml |
sha256=kiwVGiROzIuVUKT9IBW1hAxcerN0BjxZ_mhRumm7PNA
|
3775 |
HTPolyNet/resources/cfg/GMASTY-lo.yaml |
sha256=01JPwxJlAqvQWgqD0aPYkQLPVrbZFUvTAm77NJKrrZw
|
3775 |
HTPolyNet/resources/cfg/README.md |
sha256=YTLOGMwgZOepXJa2j9dFgPd--3tVyDS0e9eXzmU0ptw
|
40 |
HTPolyNet/resources/cfg/STY.yaml |
sha256=2bjcnfc80-FIQeklVEvHwFi-LxRW2w3ipk32cWEB3QY
|
423 |
HTPolyNet/resources/cfg/pMSTY-hi.yaml |
sha256=ZtxhjaIfsukaPJVck5miFJ46ElNAmb5SZXRD4OeyVfo
|
2260 |
HTPolyNet/resources/cfg/pMSTY-lo.yaml |
sha256=lyWsCEFFL0A2tVk67p6yEUAZvRdxN5GmIJosAuQbPH0
|
2260 |
HTPolyNet/resources/cfg/pSTY-hi.yaml |
sha256=LY_qkriC27USciia3m5a0Ue_k8861-yeezR3h-jh7fw
|
2260 |
HTPolyNet/resources/cfg/pSTY-lo.yaml |
sha256=wUuIMijfVLez3BmIYlKSpRTLfoaRVxhYoYcHoRFQG2Y
|
2260 |
HTPolyNet/resources/example_depot/0-liquid-styrene.tgz |
sha256=Rwv81PYyKuleybHBlVQ8gWOJB4lae1ex4eLUtlAHoDI
|
2224 |
HTPolyNet/resources/example_depot/1-polystyrene.tgz |
sha256=BSC-elHp4JOGJcuT7WgT4UZLlKnQoJta4wUlrERI0Q0
|
2378 |
HTPolyNet/resources/example_depot/2-polymethylstyrene.tgz |
sha256=wu6N2W-A-OJ3Rns3OUaFV8PKbQSFkmTTGYTD9iiHkyU
|
2329 |
HTPolyNet/resources/example_depot/3-bisgma-styrene-thermoset.tgz |
sha256=Kb0PB22_LnPpMvwHEUxbMKDAcLlqARw07-vukhFBbxA
|
2803 |
HTPolyNet/resources/example_depot/4-pacm-dgeba-epoxy-thermoset.tgz |
sha256=AYbudsjleTQnWDNPA2s_Nm17sulJr_I8dDTeTSdsUYM
|
2535 |
HTPolyNet/resources/example_depot/5-dfda-fde-epoxy-thermoset.tgz |
sha256=m0TM7tNgkcCqyziF7s72MkTaiB6vIao10h-WL3jeync
|
2791 |
HTPolyNet/resources/mdp/README.md |
sha256=48RjM7HLRF776FUJXUxQIw8RZxc7z1ti6za3YB7_U80
|
20 |
HTPolyNet/resources/mdp/drag-min.mdp |
sha256=CrMRQIzwtG4TlYRY-nB1P7HPgdwrpwSJJW6yoYdfahY
|
225 |
HTPolyNet/resources/mdp/drag-npt.mdp |
sha256=vbU-LuDH-CLmB8s3kRx0SYkKMxR7Qjh8PuXGgpC2EGs
|
911 |
HTPolyNet/resources/mdp/drag-nvt.mdp |
sha256=YtyjVt_uMZUn2JtvbC8ESWLKKru2JyNXbr_GJfWz10w
|
636 |
HTPolyNet/resources/mdp/min.mdp |
sha256=xIViAc9gTE5rMAsYrPGYCNu1fnit_NWdcsBI786XvZc
|
226 |
HTPolyNet/resources/mdp/npt.mdp |
sha256=nc3bToKi-bjgweTRJ9gRETml-iTST92_Aw1f7Z6AzuI
|
939 |
HTPolyNet/resources/mdp/nvt.mdp |
sha256=e8H7nzLmcyFJRXLAhY70liuEXe6tbtRKOoklzhdvRII
|
575 |
HTPolyNet/resources/mdp/relax-min.mdp |
sha256=KsOkmEi3FLBRtAhEUpUPUhuCe_zArfJqTKInKDnl1us
|
213 |
HTPolyNet/resources/mdp/relax-npt.mdp |
sha256=-OsDj4E5rS6YjrF_zEvoWyjZD-_IyCQBbj-amR9cWYo
|
919 |
HTPolyNet/resources/mdp/relax-nvt.mdp |
sha256=iqxPgPU0fxS4cKwd_mOQ4-b0JG8ySArdlFhJvpmTF44
|
644 |
HTPolyNet/resources/mdp/single-molecule-min.mdp |
sha256=LinjsbugiKvJrh2fcog9tACaOyWHiUB8lQX5RzTy5xE
|
211 |
HTPolyNet/resources/mdp/single-molecule-nvt.mdp |
sha256=JJy4TV32m1cBUxyCHTGZnW0EsQyNpKiDHVdLP_VSvRI
|
493 |
HTPolyNet/resources/molecules/make-monomers.sh |
sha256=klvyRoFxP2AtvQKssgc4KlmvmlCeFx8nohBCFtI0gXg
|
2437 |
HTPolyNet/resources/molecules/inputs/DFA.pdb |
sha256=Fp52MS9C9GjWk78ysyVaA3RXcSRsljK_HIeYvlAo-Bc
|
4538 |
HTPolyNet/resources/molecules/inputs/DGE.mol2 |
sha256=18Bctj6GdMtrtS1HErukojUqlPUAlxIuL9aHkhGxWtU
|
5457 |
HTPolyNet/resources/molecules/inputs/EMB.mol2 |
sha256=oGs1EOiPtNcxJZ6jWGz4-bkV13fLttKEpX5MdXU9yKw
|
2201 |
HTPolyNet/resources/molecules/inputs/FDE.pdb |
sha256=fe8yRAGT0EkjxY5EHvONDi0tFPP9GdBfuqHu-6sKrlY
|
5298 |
HTPolyNet/resources/molecules/inputs/GMA.mol2 |
sha256=UN0xbEzNVF5ud0JJeo-6v5MTHHslfvu7Fw8uVOxSEdc
|
7881 |
HTPolyNet/resources/molecules/inputs/PAC.mol2 |
sha256=5EWrFsh-O15c5Nvi8Ovxlqap-yZ93tG4bw-kqsG5UAQ
|
4245 |
HTPolyNet/resources/molecules/inputs/STY.mol2 |
sha256=r1NqpovL6L7E96Kkyc6UTZpPlWa0eWf6yo1kH16HAZY
|
1898 |
HTPolyNet/resources/molecules/pics/DFA.png |
sha256=_o1I8Hz7xZBdHhb3JlmxUo3ZX-FsLSc3D1VWi-zH7S4
|
16294 |
HTPolyNet/resources/molecules/pics/DGE.png |
sha256=1P00cktL5CDM00xt6v88wO92ZZe-0e9qijhJsIUoP1w
|
24272 |
HTPolyNet/resources/molecules/pics/EMB.png |
sha256=b6eN3dGhGctau1G80fL4UQdv60K0FaC5QFGq7hBMLtQ
|
14957 |
HTPolyNet/resources/molecules/pics/FDE.png |
sha256=UILcNnF-fFU5c56QZQGFjtQkIdsjKtuMi4RVUU8SBrs
|
20372 |
HTPolyNet/resources/molecules/pics/GMA.png |
sha256=DWfNdc1avewENsImwP-tx6EGrp_EJIq19_ldZaJASdM
|
13607 |
HTPolyNet/resources/molecules/pics/PAC.png |
sha256=6OLti_FfNKqpbVOysKPQ_9-NZwykxDlKgm4Pn152f8w
|
9112 |
HTPolyNet/resources/molecules/pics/STY.png |
sha256=0sYaCTcNVuXWh2uLz-GsxEnu705dCr_GhlA70XiHfuQ
|
13109 |
HTPolyNet/resources/molecules/sample-inputs/DFA.pdb |
sha256=96q_X4gnn23GuTN8cO7nHPuHGgDlqmdxcSkerQXQUyU
|
4538 |
HTPolyNet/resources/molecules/sample-inputs/DGE.mol2 |
sha256=A6j8mQUVf8RIwkU4pTBa0n3BrmdPHefMWZvQjkyNWLc
|
5457 |
HTPolyNet/resources/molecules/sample-inputs/EMB.mol2 |
sha256=oGs1EOiPtNcxJZ6jWGz4-bkV13fLttKEpX5MdXU9yKw
|
2201 |
HTPolyNet/resources/molecules/sample-inputs/FDE.pdb |
sha256=0yJy25Q1VCQ-bmVY0g9hDKVpdxExk-Iwpidd753FVks
|
5298 |
HTPolyNet/resources/molecules/sample-inputs/GMA.mol2 |
sha256=pSEHhDiHf28QM6MPb_wouNJSPQPSo39iWjka_X7s5Pw
|
7881 |
HTPolyNet/resources/molecules/sample-inputs/PAC.mol2 |
sha256=qlCF27yDV7uogeUY3yGdkIz0BV3hNyPrpYUF-D_Tun4
|
4245 |
HTPolyNet/resources/molecules/sample-inputs/STY.mol2 |
sha256=r1NqpovL6L7E96Kkyc6UTZpPlWa0eWf6yo1kH16HAZY
|
1898 |
HTPolyNet/resources/tcl/readbonds.tcl |
sha256=l_bh7eMjbxVi44UMPMi32bFntZltij92KmKfXC1qDz4
|
972 |
HTPolyNet/resources/tcl/readgrx.tcl |
sha256=A1KvyIpFC_lwfze3XOqTCPqLIkq7HwmqJ96lZH42W0U
|
1731 |
HTPolyNet/resources/tcl/render.tcl |
sha256=KUszYxzWtfuL7OXdtdk8n6eAQbz8DJfKJrGbb0pOdrI
|
2379 |
htpolynet-1.0.9.dist-info/METADATA |
sha256=foaWanjd6j0aokI3Hgfix6S55VGRaQ-LXG_HXByE1H8
|
3610 |
htpolynet-1.0.9.dist-info/WHEEL |
sha256=9QBuHhg6FNW7lppboF2vKVbCGTVzsFykgRQjjlajrhA
|
87 |
htpolynet-1.0.9.dist-info/entry_points.txt |
sha256=Lwf9z_k-EGw8neD_m-81djjpnURXEy4WGshvZgQFsgo
|
51 |
htpolynet-1.0.9.dist-info/licenses/LICENSE |
sha256=piPSGqJdmTGyzF9HOnjlO2KvgOKT8NHwhCuGYM778tY
|
1071 |
htpolynet-1.0.9.dist-info/RECORD |
— |
— |