René's URL Explorer Experiment

Title: Core features - i-PI documentation pages

color-scheme

light dark

Links:

Skip to content	https://docs.ipi-code.org/features.html#furo-main-content
i-PI documentation pages	https://docs.ipi-code.org/index.html
i-PI documentation pages	https://docs.ipi-code.org/index.html
Program Overview	https://docs.ipi-code.org/introduction.html
Getting started	https://docs.ipi-code.org/getting-started.html
Core features	https://docs.ipi-code.org/features.html
Internal units and conventions	https://docs.ipi-code.org/units.html
Input files	https://docs.ipi-code.org/input-files.html
Input file tags	https://docs.ipi-code.org/input-tags.html
Output files	https://docs.ipi-code.org/output-files.html
Output file tags	https://docs.ipi-code.org/output-tags.html
Tools and python utilities	https://docs.ipi-code.org/python.html
Distributed execution	https://docs.ipi-code.org/distributed.html
A simple tutorial	https://docs.ipi-code.org/tutorials.html
Tutorials, recipes, and on-line resources	https://docs.ipi-code.org/onlinereso.html
Frequently asked questions	https://docs.ipi-code.org/faq.html
Troubleshooting	https://docs.ipi-code.org/troubleshooting.html
Contributing	https://docs.ipi-code.org/contributing.html
Bibliography	https://docs.ipi-code.org/bibliography.html
Back to top	https://docs.ipi-code.org/features.html
¶	https://docs.ipi-code.org/features.html#core-features
¶	https://docs.ipi-code.org/features.html#bosonic-and-fermionic-path-integral-molecular-dynamics
10.1063/5.0173749	https://doi.org/10.1063/5.0173749
fetch	https://pubs.aip.org/Citation/Download?resourceId=2917443&resourceType=3&citationFormat=2
10.1073/pnas.1913365116	https://doi.org/10.1073/pnas.1913365116
fetch	https://www.doi2bib.org/bib/10.1073/pnas.1913365116
10.1063/5.0008720	https://doi.org/10.1063/5.0008720
fetch	https://www.doi2bib.org/bib/10.1063/5.0008720
10.1103/PhysRevLett.128.045301	https://doi.org/10.1103/PhysRevLett.128.045301
fetch	https://www.doi2bib.org/bib/10.1103/PhysRevLett.128.045301
¶	https://docs.ipi-code.org/features.html#cavity-molecular-dynamics-for-polaritonics
10.1073/pnas.2009272117	https://dx.doi.org/10.1073/pnas.2009272117
fetch	https://www.doi2bib.org/bib/10.1073/pnas.2009272117
10.1021/acs.jpclett.2c00613	https://dx.doi.org/10.1021/acs.jpclett.2c00613
fetch	https://www.doi2bib.org/bib/10.1021/acs.jpclett.2c00613
¶	https://docs.ipi-code.org/features.html#committee-models
10.1063/5.0036522	https://dx.doi.org/10.1063/5.0036522
fetch	http://www.doi2bib.org/#/doi/10.1063/5.0036522
10.1021/acs.jctc.8b00959	https://dx.doi.org/10.1021/acs.jctc.8b00959
fetch	http://www.doi2bib.org/#/doi/10.1021/acs.jctc.8b00959
¶	https://docs.ipi-code.org/features.html#direct-estimators-for-isotope-fractionation
10.1063/1.4904293	https://dx.doi.org/10.1063/1.4904293
fetch	http://www.doi2bib.org/bib/10.1063%2F1.4904293
¶	https://docs.ipi-code.org/features.html#fast-forward-langevin-thermostat
10.1063/1.5029833	https://dx.doi.org/10.1063/1.5029833
fetch	https://www.doi2bib.org/bib/10.1063%2F1.5029833
¶	https://docs.ipi-code.org/features.html#finite-differences-suzuki-chin-pimd
10.1063/1.4971438	https://dx.doi.org/10.1063/1.4971438
fetch	http://www.doi2bib.org/bib/10.1063%2F1.4971438
10.1063/1.1410117	https://dx.doi.org/10.1063/1.1410117
fetch	http://www.doi2bib.org/bib/10.1063%2F1.1410117
10.1016/s0375-9601(97)00003-0	https://dx.doi.org/10.1016/s0375-9601(97)00003-0
fetch	http://www.doi2bib.org/bib/10.1016%2Fs0375-9601(97)00003-0
10.1016/0375-9601(95)00266-6	https://dx.doi.org/10.1016/0375-9601(95)00266-6
fetch	http://www.doi2bib.org/bib/10.1016%2F0375-9601(95)00266-6
¶	https://docs.ipi-code.org/features.html#finite-differences-vibrational-analysis
10.1103/PhysRevLett.117.115702	https://dx.doi.org/10.1103/PhysRevLett.117.115702
fetch	http://www.doi2bib.org/#/doi/10.1103/PhysRevLett.117.115702
¶	https://docs.ipi-code.org/features.html#free-energy-perturbation-estimators-for-isotope-fractionation
10.1063/1.4772676	https://dx.doi.org/10.1063/1.4772676
fetch	http://www.doi2bib.org/#/doi/10.1063/1.4772676
¶	https://docs.ipi-code.org/features.html#generalized-langevin-equation-thermostats
GLE4MD website	http://gle4md.org/index.html?page=matrix
10.1021/ct900563s	https://dx.doi.org/10.1021/ct900563s
fetch	http://www.doi2bib.org/bib/10.1021%2Fct900563s
10.1103/PhysRevLett.102.020601	https://dx.doi.org/10.1103/PhysRevLett.102.020601
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevLett.102.020601
10.1103/PhysRevLett.103.030603	https://dx.doi.org/10.1103/PhysRevLett.103.030603
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevLett.103.030603
10.1016/j.procs.2010.04.180	https://dx.doi.org/10.1016/j.procs.2010.04.180
fetch	http://www.doi2bib.org/bib/10.1016%2Fj.procs.2010.04.180
10.1063/1.3518369	https://dx.doi.org/10.1063/1.3518369
fetch	http://www.doi2bib.org/bib/10.1063%2F1.3518369
10.1021/acs.jctc.6b01108	https://dx.doi.org/10.1063/10.1021/acs.jctc.6b01108
fetch	http://www.doi2bib.org/bib/10.1021%2Facs.jctc.6b01108
¶	https://docs.ipi-code.org/features.html#geometry-optimization
10.1103/PhysRevLett.117.115702	https://dx.doi.org/10.1103/PhysRevLett.117.115702
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevLett.117.115702
¶	https://docs.ipi-code.org/features.html#langevin-sampling-for-noisy-or-dissipative-forces
10.1103/PhysRevLett.98.066401	https://dx.doi.org/10.1103/PhysRevLett.98.066401
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevLett.98.066401
10.1103/PhysRevB.73.041105	https://dx.doi.org/10.1103/PhysRevB.73.041105
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevB.73.041105
10.1063/1.4901430	https://dx.doi.org/10.1063/1.4901430
fetch	http://www.doi2bib.org/bib/10.1063%2F1.4901430
¶	https://docs.ipi-code.org/features.html#multiple-time-step-integrators
10.1063/1.4941091	https://dx.doi.org/10.1063/1.4941091
fetch	http://www.doi2bib.org/bib/10.1063%2F1.4941091
10.1063/1.463137	https://dx.doi.org/10.1063/1.463137
fetch	http://www.doi2bib.org/bib/10.1063%2F1.463137
¶	https://docs.ipi-code.org/features.html#open-path-integrals
10.1021/acs.jpcb.8b03896	https://dx.doi.org/10.1021/acs.jpcb.8b03896
fetch	http://www.doi2bib.org/#/doi/10.1021/acs.jpcb.8b03896
10.1103/PhysRevLett.101.017801	https://dx.doi.org/10.1103/PhysRevLett.101.017801
fetch	http://www.doi2bib.org/#/doi/10.1103/PhysRevLett.101.017801
¶	https://docs.ipi-code.org/features.html#path-integral-gles
GLE4MD website	http://gle4md.org/index.html?page=matrix
10.1016/j.cpc.2013.10.027	https://dx.doi.org/10.1016/j.cpc.2013.10.027
fetch	http://www.doi2bib.org/bib/10.1016%2Fj.cpc.2013.10.027
10.1103/PhysRevLett.109.100604	https://dx.doi.org/10.1103/PhysRevLett.109.100604
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevLett.109.100604
10.1063/1.3556661	https://dx.doi.org/10.1063/1.3556661
fetch	http://www.doi2bib.org/bib/10.1063%2F1.3556661
¶	https://docs.ipi-code.org/features.html#path-integral-molecular-dynamics
10.1016/j.cpc.2013.10.027	https://dx.doi.org/10.1016/j.cpc.2013.10.027
fetch	http://www.doi2bib.org/bib/10.1016%2Fj.cpc.2013.10.027
¶	https://docs.ipi-code.org/features.html#path-integrals-molecular-dynamics-at-constant-pressure
10.1016/j.cpc.2013.10.027	https://dx.doi.org/10.1016/j.cpc.2013.10.027
fetch	http://www.doi2bib.org/bib/10.1016%2Fj.cpc.2013.10.027
10.1063/1.478193	https://dx.doi.org/10.1063/1.478193
fetch	http://www.doi2bib.org/bib/10.1063%2F1.478193
10.1063/1.3073889	https://dx.doi.org/10.1063/1.3073889
fetch	http://www.doi2bib.org/bib/10.1063%2F1.3073889
10.1088/0953-8984/23/33/334213	https://dx.doi.org/10.1088/0953-8984/23/33/334213
fetch	http://www.doi2bib.org/bib/10.1088/0953-8984/23/33%2F334213
¶	https://docs.ipi-code.org/features.html#path-integral-langevin-equation-thermostats
10.1063/1.3489925	https://dx.doi.org/10.1063/1.3489925
fetch	http://www.doi2bib.org/bib/10.1063%2F1.3489925
¶	https://docs.ipi-code.org/features.html#perturbed-path-integrals
10.1039/C5SC03443D	https://dx.doi.org/10.1039/C5SC03443D
fetch	http://www.doi2bib.org/bib/10.1039%2FC5SC03443D
¶	https://docs.ipi-code.org/features.html#replica-exchange-md
10.1002/jcc.24025	https://dx.doi.org/10.1002/jcc.24025
fetch	http://www.doi2bib.org/#/doi/10.1002/jcc.24025
10.1016/s0009-2614(99)01123-9	https://dx.doi.org/10.1016/s0009-2614(99)01123-9
fetch	http://www.doi2bib.org/#/doi/10.1016/s0009-2614(99)01123-9
10.1016/ s0009-2614(01)00055-0	https://dx.doi.org/10.1016/s0009-2614(01)00055-0
fetch	http://www.doi2bib.org/#/doi/10.1016/s0009-2614(01)00055-0
¶	https://docs.ipi-code.org/features.html#quantum-alchemical-transformation
10.1021/acs.jpclett.6b00729	https://dx.doi.org/10.1021/acs.jpclett.6b00729
fetch	http://www.doi2bib.org/bib/10.1021%2Facs.jpclett.6b00729
10.1016/S1574-1400(07)03004-6	https://dx.doi.org/10.1016/S1574-1400(07)03004-6
fetch	http://www.doi2bib.org/bib/10.1016%2FS1574-1400(07)03004-6
10.1021/jp311986m	https://dx.doi.org/10.1021/jp311986m
fetch	http://www.doi2bib.org/#/10.1021/jp311986m
¶	https://docs.ipi-code.org/features.html#reweighting-based-high-order-pimd
10.1098/rspa.2011.0413	https://dx.doi.org/10.1098/rspa.2011.0413
fetch	http://www.doi2bib.org/bib/10.1098%2Frspa.2011.0413
10.1063/1.1410117	https://dx.doi.org/10.1063/1.1410117
fetch	http://www.doi2bib.org/bib/10.1063%2F1.1410117
10.1016/s0375-9601(97)00003-0	https://dx.doi.org/10.1016/s0375-9601(97)00003-0
fetch	http://www.doi2bib.org/bib/10.1016%2Fs0375-9601(97)00003-0
10.1016/0375-9601(95)00266-6	https://dx.doi.org/10.1016/0375-9601(95)00266-6
fetch	http://www.doi2bib.org/bib/10.1016%2F0375-9601(95)00266-6
¶	https://docs.ipi-code.org/features.html#ring-polymer-contraction
10.1063/1.4941091	https://dx.doi.org/10.1063/1.4941091
fetch	http://www.doi2bib.org/bib/10.1063%2F1.4941091
10.1063/1.2953308	https://dx.doi.org/10.1063/1.2953308
fetch	http://www.doi2bib.org/bib/10.1063%2F1.2953308
¶	https://docs.ipi-code.org/features.html#ring-polymer-instantons
10.1063/1.430676	https://dx.doi.org/10.1063/1.430676
fetch	http://doi2bib.org/#/doi/10.1063/1.430676
10.1080/0144235X.2018.1472353	https://doi.org/10.1080/0144235X.2018.1472353
fetch	http://doi2bib.org/#/doi/10.1080/0144235X.2018.1472353
¶	https://docs.ipi-code.org/features.html#thermodynamic-integrations
10.1103/PhysRevLett.117.115702	https://dx.doi.org/10.1103/PhysRevLett.117.115702
fetch	http://www.doi2bib.org/bib/10.1103%2FPhysRevLett.117.115702
¶	https://docs.ipi-code.org/features.html#thermostatted-ring-polymer-molecular-dynamics
10.1063/1.4883861	https://doi.org/10.1063/1.4883861
fetch	https://www.doi2bib.org/bib/10.1063%2F1.4883861
10.1063/1.1777575	https://doi.org/10.1063/1.1777575
fetch	https://www.doi2bib.org/bib/10.1063%2F1.1777575
Next Internal units and conventions	https://docs.ipi-code.org/units.html
Previous Getting started	https://docs.ipi-code.org/getting-started.html
Sphinx	https://www.sphinx-doc.org/
@pradyunsg	https://pradyunsg.me
Furo	https://github.com/pradyunsg/furo
Core features	https://docs.ipi-code.org/features.html
Bosonic and Fermionic Path Integral Molecular Dynamics	https://docs.ipi-code.org/features.html#bosonic-and-fermionic-path-integral-molecular-dynamics
Cavity Molecular Dynamics for Polaritonics	https://docs.ipi-code.org/features.html#cavity-molecular-dynamics-for-polaritonics
Committee models	https://docs.ipi-code.org/features.html#committee-models
Direct Estimators for Isotope Fractionation	https://docs.ipi-code.org/features.html#direct-estimators-for-isotope-fractionation
Fast-Forward Langevin Thermostat	https://docs.ipi-code.org/features.html#fast-forward-langevin-thermostat
Finite-differences Suzuki-Chin PIMD	https://docs.ipi-code.org/features.html#finite-differences-suzuki-chin-pimd
Finite-differences Vibrational Analysis	https://docs.ipi-code.org/features.html#finite-differences-vibrational-analysis
Free-energy Perturbation Estimators for Isotope Fractionation	https://docs.ipi-code.org/features.html#free-energy-perturbation-estimators-for-isotope-fractionation
Generalized Langevin Equation Thermostats	https://docs.ipi-code.org/features.html#generalized-langevin-equation-thermostats
Geometry Optimization	https://docs.ipi-code.org/features.html#geometry-optimization
Langevin Sampling for Noisy or Dissipative Forces	https://docs.ipi-code.org/features.html#langevin-sampling-for-noisy-or-dissipative-forces
Multiple Time Step integrators	https://docs.ipi-code.org/features.html#multiple-time-step-integrators
Open Path Integrals	https://docs.ipi-code.org/features.html#open-path-integrals
Path Integral GLEs	https://docs.ipi-code.org/features.html#path-integral-gles
Path Integral Molecular Dynamics	https://docs.ipi-code.org/features.html#path-integral-molecular-dynamics
Path Integrals Molecular Dynamics at Constant Pressure	https://docs.ipi-code.org/features.html#path-integrals-molecular-dynamics-at-constant-pressure
Path Integral Langevin Equation Thermostats	https://docs.ipi-code.org/features.html#path-integral-langevin-equation-thermostats
Perturbed Path Integrals	https://docs.ipi-code.org/features.html#perturbed-path-integrals
Replica Exchange MD	https://docs.ipi-code.org/features.html#replica-exchange-md
Quantum Alchemical Transformation	https://docs.ipi-code.org/features.html#quantum-alchemical-transformation
Reweighting-based high-order PIMD	https://docs.ipi-code.org/features.html#reweighting-based-high-order-pimd
Ring-Polymer Contraction	https://docs.ipi-code.org/features.html#ring-polymer-contraction
Ring-polymer Instantons	https://docs.ipi-code.org/features.html#ring-polymer-instantons
Thermodynamic Integrations	https://docs.ipi-code.org/features.html#thermodynamic-integrations
Thermostatted Ring-polymer Molecular Dynamics	https://docs.ipi-code.org/features.html#thermostatted-ring-polymer-molecular-dynamics

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URLs of crawlers that visited me.