PyPES Extensible Library Activity

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Activity for PyPES Extensible Library

9 years ago
PyPES Extensible Library released /PyPES_Extensible_Library.tgz
9 years ago
PyPES Extensible Library released /PyPES_Extensible_Library.tgz
9 years ago
PyPES Extensible Library released /README
9 years ago
PyPES Extensible Library released /PyPES_Extensible_Library.tgz
9 years ago
PyPES Extensible Library released /PyPES_Extensible_Library.tgz
9 years ago
PyPES Extensible Library released /cfour_joda_patch.tgz
9 years ago
PyPES Extensible Library released /v0_2016/PyPES_Extensible_Library.tar
9 years ago
PyPES Extensible Library released /v0_2016/README
9 years ago
PyPES Extensible Library released /v0_2016/force_field_update.tar
10 years ago
PyPES Extensible Library released /force_field_update.tgz
10 years ago
PyPES Extensible Library released /code/force_field/molecule_FLUOROETHENE.py
10 years ago
PyPES Extensible Library released /code/force_field/README
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXETANE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXAZOLINE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_FURANONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXASPIROPENTENE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXETANONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_FURANDIONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_FURAN.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_CYCLOBUTENONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPANE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXETENE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXAZOLE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPANONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_METHYLENECYCLOPROPENE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_CYCLOBUTADIENE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_AZIRIDINE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_AZETINONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXIRANE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_THIIRANE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXADIAZOLE124.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_OXIDIAZOLE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_AZIRINEOXIDE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPENE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_DIAZACYCLOBUTADIENE13.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_PENTAZOLE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPENONE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_AZIRINE.py
10 years ago
PyPES Extensible Library released /code/force_field/molecule_DIAZACYCLOBUTADIENE12.py
10 years ago
pypes-lib-ext released /docs/MIT_license.txt
10 years ago
pypes-lib-ext released /README
10 years ago
pypes-lib-ext released /refs/Extensible_PyPES_Library_Manuscript.pdf
10 years ago
pypes-lib-ext released /refs/PyPES_Library_Manuscript.pdf
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D4V.d_nm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D3V.d_cnm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D1V.d_cnm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D4V.d_cnm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D2V.d_cnm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D5V.d_nm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D2V.d_nm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D6V.d_nm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D0V
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/example_8.out
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/example_8.in
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D3V.d_nm
10 years ago
pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D1V.d_nm
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p4.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p6.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p4.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p6.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p6.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p5.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p3.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p5.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p4.inp
10 years ago
pypes-lib-ext released /tutes/tute_8/example_8.in
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p5.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/num_diff_diazene.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p3.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m3.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m6.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p1.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m2.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m2.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p3.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m1.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m4.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m3.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m1.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m5.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m5.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m5.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_0.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m4.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p2.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m6.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p2.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m2.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m1.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m3.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m4.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p2.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m6.dat
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p1.inp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p1.outp
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/example_7c.in
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/diazene_qff_D3V.d_cnm
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/diazene_qff_D2V.d_cnm
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/diazene_qff_D0V
10 years ago
pypes-lib-ext released /tutes/tute_7c/reference/diazene_qff_D1V.d_cnm

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PyPES Extensible Library Activity

Activity for PyPES Extensible Library

PyPES Extensible Library released /PyPES_Extensible_Library.tgz

PyPES Extensible Library released /PyPES_Extensible_Library.tgz

PyPES Extensible Library released /README

PyPES Extensible Library released /PyPES_Extensible_Library.tgz

PyPES Extensible Library released /PyPES_Extensible_Library.tgz

PyPES Extensible Library released /cfour_joda_patch.tgz

PyPES Extensible Library released /v0_2016/PyPES_Extensible_Library.tar

PyPES Extensible Library released /v0_2016/README

PyPES Extensible Library released /v0_2016/force_field_update.tar

PyPES Extensible Library released /force_field_update.tgz

PyPES Extensible Library released /code/force_field/molecule_FLUOROETHENE.py

PyPES Extensible Library released /code/force_field/README

PyPES Extensible Library released /code/force_field/molecule_OXETANE.py

PyPES Extensible Library released /code/force_field/molecule_OXAZOLINE.py

PyPES Extensible Library released /code/force_field/molecule_FURANONE.py

PyPES Extensible Library released /code/force_field/molecule_OXASPIROPENTENE.py

PyPES Extensible Library released /code/force_field/molecule_OXETANONE.py

PyPES Extensible Library released /code/force_field/molecule_FURANDIONE.py

PyPES Extensible Library released /code/force_field/molecule_FURAN.py

PyPES Extensible Library released /code/force_field/molecule_CYCLOBUTENONE.py

PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPANE.py

PyPES Extensible Library released /code/force_field/molecule_OXETENE.py

PyPES Extensible Library released /code/force_field/molecule_OXAZOLE.py

PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPANONE.py

PyPES Extensible Library released /code/force_field/molecule_METHYLENECYCLOPROPENE.py

PyPES Extensible Library released /code/force_field/molecule_CYCLOBUTADIENE.py

PyPES Extensible Library released /code/force_field/molecule_AZIRIDINE.py

PyPES Extensible Library released /code/force_field/molecule_AZETINONE.py

PyPES Extensible Library released /code/force_field/molecule_OXIRANE.py

PyPES Extensible Library released /code/force_field/molecule_THIIRANE.py

PyPES Extensible Library released /code/force_field/molecule_OXADIAZOLE124.py

PyPES Extensible Library released /code/force_field/molecule_OXIDIAZOLE.py

PyPES Extensible Library released /code/force_field/molecule_AZIRINEOXIDE.py

PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPENE.py

PyPES Extensible Library released /code/force_field/molecule_DIAZACYCLOBUTADIENE13.py

PyPES Extensible Library released /code/force_field/molecule_PENTAZOLE.py

PyPES Extensible Library released /code/force_field/molecule_CYCLOPROPENONE.py

PyPES Extensible Library released /code/force_field/molecule_AZIRINE.py

PyPES Extensible Library released /code/force_field/molecule_DIAZACYCLOBUTADIENE12.py

pypes-lib-ext released /docs/MIT_license.txt

pypes-lib-ext released /README

pypes-lib-ext released /refs/Extensible_PyPES_Library_Manuscript.pdf

pypes-lib-ext released /refs/PyPES_Library_Manuscript.pdf

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D4V.d_nm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D3V.d_cnm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D1V.d_cnm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D4V.d_cnm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D2V.d_cnm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D5V.d_nm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D2V.d_nm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D6V.d_nm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D0V

pypes-lib-ext released /tutes/tute_8/reference/example_8.out

pypes-lib-ext released /tutes/tute_8/reference/example_8.in

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D3V.d_nm

pypes-lib-ext released /tutes/tute_8/reference/derivs_N2H2_2_D1V.d_nm

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p4.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p6.inp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p4.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p6.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p6.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p5.inp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p3.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p5.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p4.inp

pypes-lib-ext released /tutes/tute_8/example_8.in

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p5.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/num_diff_diazene.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p3.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m3.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m6.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p1.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m2.inp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m2.outp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_p3.inp

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m1.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m4.dat

pypes-lib-ext released /tutes/tute_7c/reference/QFF/diazene_m3.outp